2-chloranyl-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-quinoline

Systemtic Name: 2-chloranyl-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-quinoline Formula: C23H27ClN3O+ MolecularWeight: 396.93298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)C[NH+]3CCN(CC3)C4=CC(=CC=C4)OC)Cl)C

InChI

InChI=1S/C23H26ClN3O/c1-16-7-8-18-13-19(23(24)25-22(18)17(16)2)15-26-9-11-27(12-10-26)20-5-4-6-21(14-20)28-3/h4-8,13-14H,9-12,15H2,1-3H3/p+1