6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylphenyl)isoquinoline chloride

Systemtic Name: 6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylphenyl)isoquinoline chloride Openeye Name: 6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(o-tolyl)isoquinoline chloride CAS Name: 6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylphenyl)isoquinoline chloride IUPAC Name: 6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylphenyl)isoquinoline chloride Traditional Name: 6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(o-tolyl)isoquinoline chloride Formula: C23H27ClN3- MolecularWeight: 380.93358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=NC(=C2C=C1)N3CCCN(CC3)C)C4=CC=CC=C4C.[Cl-]

Isomeric SMILES

CC1=CC2=CC(=NC(=C2C=C1)N3CCCN(CC3)C)C4=CC=CC=C4C.[Cl-]

InChI

InChI=1S/C23H27N3.ClH/c1-17-9-10-21-19(15-17)16-22(20-8-5-4-7-18(20)2)24-23(21)26-12-6-11-25(3)13-14-26;/h4-5,7-10,15-16H,6,11-14H2,1-3H3;1H/p-1