Molecule ID: 118796892

IUPAC Name: N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;hydron

Description: The molecule is an organic cation obtained by protonation of osimertinib. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of an osimertinib.

SMILES: C=CC(O)=Nc1cc(Nc2nc(-c3cn(C)c4ccccc34)cc[nH+]2)c(OC)cc1N(C)CCN(C)C

SELFIES: [C][=C][C][Branch1][C][O][=N][C][=C][C][Branch2][Ring1][N][N][C][=N][C][Branch1][P][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][C][=NH1+1][Ring1][S][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch2][N][Branch1][C][C][C][C][N][Branch1][C][C][C]

InChI: InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)/p+1

Molecular Properties:
- Polar Surface Area: 87.6 Ų
- LogP: nan