(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-3-phenyl-prop-2-en-1-imine

Systemtic Name: (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-3-phenyl-prop-2-en-1-imine Openeye Name: (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-3-phenyl-prop-2-en-1-imine CAS Name: (E)-N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-2-methyl-3-phenyl-2-propen-1-imine IUPAC Name: (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-2-methyl-3-phenylprop-2-en-1-imine Traditional Name: (Z)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-[(E)-2-methyl-3-phenyl-prop-2-enylidene]amine Formula: C21H25ClN3+ MolecularWeight: 354.8963

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=C1)C=NN2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3/c1-18(15-19-5-3-2-4-6-19)16-23-25-13-11-24(12-14-25)17-20-7-9-21(22)10-8-20/h2-10,15-16H,11-14,17H2,1H3/p+1/b18-15+,23-16-