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

Systemtic Name: 2-methyl-3-phenyl-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-prop-2-en-1-imine CAS Name: 2-methyl-3-phenyl-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-imine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-2-methyl-3-phenylprop-2-en-1-imine Traditional Name: (Z)-(4-benzylpiperazin-4-ium-1-yl)-(2-methyl-3-phenyl-prop-2-enylidene)amine Formula: C21H26N3+ MolecularWeight: 320.45124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=CC1=CC=CC=C1)/C=N\N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3/c1-19(16-20-8-4-2-5-9-20)17-22-24-14-12-23(13-15-24)18-21-10-6-3-7-11-21/h2-11,16-17H,12-15,18H2,1H3/p+1/b19-16?,22-17-