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

Systemtic Name: (Z)-2-bromanyl-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-imine Openeye Name: (Z)-2-bromo-3-phenyl-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine CAS Name: (Z)-2-bromo-N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-imine IUPAC Name: (Z)-2-bromo-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine Traditional Name: (E)-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C21H25BrN3+ MolecularWeight: 399.3473

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3/c1-18-7-9-20(10-8-18)17-24-11-13-25(14-12-24)23-16-21(22)15-19-5-3-2-4-6-19/h2-10,15-16H,11-14,17H2,1H3/p+1/b21-15-,23-16+