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

Systemtic Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanimine Openeye Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanimine CAS Name: N-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(3,4-dimethoxyphenyl)ethanimine IUPAC Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3,4-dimethoxyphenyl)ethanimine Traditional Name: (E)-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-[1-(3,4-dimethoxyphenyl)ethylidene]amine Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN1CC[NH+](CC1)CC2=CC=CC=C2Cl)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C/C(=N\N1CC[NH+](CC1)CC2=CC=CC=C2Cl)/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26ClN3O2/c1-16(17-8-9-20(26-2)21(14-17)27-3)23-25-12-10-24(11-13-25)15-18-6-4-5-7-19(18)22/h4-9,14H,10-13,15H2,1-3H3/p+1/b23-16+