Molecule ID: 25271979

IUPAC Name: dimethyl-[2-[5-(methylsulfamoylmethyl)-1H-indol-3-yl]ethyl]azanium

Description: The molecule is an organic cation obtained by protonation of the tertiary amino function of sumatriptan. It is an ammonium ion derivative and an organic cation. It is a conjugate base of a sumatriptan.

SMILES: C[NH2+]S(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1

SELFIES: [C][NH2+1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][NH1][C][=C][Branch1][Branch2][C][C][N][Branch1][C][C][C][C][Ring1][#Branch2][=C][Ring1][=C]

InChI: InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3/p+1

Molecular Properties:
- Polar Surface Area: 74.8 Ų
- LogP: 0.9