N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(2,3-dimethoxyphenyl)methanimine

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(2,3-dimethoxyphenyl)methanimine Openeye Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(2,3-dimethoxyphenyl)methanimine CAS Name: N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(2,3-dimethoxyphenyl)methanimine IUPAC Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(2,3-dimethoxyphenyl)methanimine Traditional Name: (Z)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-(2,3-dimethoxybenzylidene)amine Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=NN2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=N\N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN3O2/c1-25-19-5-3-4-17(20(19)26-2)14-22-24-12-10-23(11-13-24)15-16-6-8-18(21)9-7-16/h3-9,14H,10-13,15H2,1-2H3/p+1/b22-14-