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

Systemtic Name: 2-chloranyl-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-quinoline Openeye Name: 2-chloro-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethyl-quinoline CAS Name: 2-chloro-3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7,8-dimethylquinoline IUPAC Name: 2-chloro-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7,8-dimethylquinoline Traditional Name: 2-chloro-3-[[4-(4-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=C(C=C4)OC)Cl)C

Isomeric SMILES

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

InChI

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