Molecule ID: 73332

IUPAC Name: 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride

Description: The molecule is a hydrochloride salt prepared from anileridine and two molar equivalents of hydrogen chloride. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor. It contains a 1-(5-isoquinolinesulfonyl)-2-methylpiperazine(2+).

SMILES: CC1CNCCN1S(=O)(=O)c1cccc2cnccc12.Cl.Cl

SELFIES: [C][C][C][N][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1].[Cl].[Cl]

InChI: InChI=1S/C14H17N3O2S.2ClH/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14;;/h2-6,10-11,16H,7-9H2,1H3;2*1H

Molecular Properties:
- Polar Surface Area: 70.7 Ų
- LogP: nan