Molecule ID: 22956467

IUPAC Name: [amino-[4-[5-[4-[amino(azaniumylidene)methyl]phenoxy]pentoxy]phenyl]methylidene]azanium

Description: The molecule is a carboxamidinium ion obtained by protonation of both amindino groups of pentamidine. It is a conjugate acid of a pentamidine.

SMILES: N=C(N)c1ccc(OCCCCCOc2ccc(C(=[NH2+])[NH3+])cc2)cc1

SELFIES: [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][C][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=NH2+1][NH3+1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1]

InChI: InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)/p+2

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: 2.6