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

Systemtic Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-imine Openeye Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-imine CAS Name: N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-imine IUPAC Name: N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine Traditional Name: cinnamylidene-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amine Formula: C22H28N3+ MolecularWeight: 334.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)N=CC=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)N=CC=CC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3/c1-19-10-11-22(20(2)17-19)18-24-13-15-25(16-14-24)23-12-6-9-21-7-4-3-5-8-21/h3-12,17H,13-16,18H2,1-2H3/p+1