1-(3,4-dimethoxyphenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanimine

Systemtic Name: 1-(3,4-dimethoxyphenyl)-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanimine CAS Name: 1-(3,4-dimethoxyphenyl)-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-(3,4-dimethoxyphenyl)ethanimine Traditional Name: (Z)-(4-benzylpiperazin-4-ium-1-yl)-[1-(3,4-dimethoxyphenyl)ethylidene]amine Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN1CC[NH+](CC1)CC2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

C/C(=N/N1CC[NH+](CC1)CC2=CC=CC=C2)/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27N3O2/c1-17(19-9-10-20(25-2)21(15-19)26-3)22-24-13-11-23(12-14-24)16-18-7-5-4-6-8-18/h4-10,15H,11-14,16H2,1-3H3/p+1/b22-17-