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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C=NN2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1)/C=N\N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)OC

InChI

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