4-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-isoquinoline dihydrochloride

Systemtic Name: 4-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-isoquinoline dihydrochloride Openeye Name: 4-methyl-5-(3-methylpiperazin-1-yl)sulfonyl-isoquinoline dihydrochloride CAS Name: 4-methyl-5-[(3-methyl-1-piperazinyl)sulfonyl]isoquinoline dihydrochloride IUPAC Name: 4-methyl-5-(3-methylpiperazin-1-yl)sulfonylisoquinoline dihydrochloride Traditional Name: 4-methyl-5-(3-methylpiperazino)sulfonyl-isoquinoline dihydrochloride Formula: C15H21Cl2N3O2S MolecularWeight: 378.31714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C.Cl.Cl

Isomeric SMILES

CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C.Cl.Cl

InChI

InChI=1S/C15H19N3O2S.2ClH/c1-11-8-16-9-13-4-3-5-14(15(11)13)21(19,20)18-7-6-17-12(2)10-18;;/h3-5,8-9,12,17H,6-7,10H2,1-2H3;2*1H