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

Systemtic Name: (Z)-2-bromanyl-3-phenyl-N-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-imine Openeye Name: (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-2-bromo-3-phenyl-prop-2-en-1-imine CAS Name: (Z)-2-bromo-3-phenyl-N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-imine IUPAC Name: (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-2-bromo-3-phenylprop-2-en-1-imine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]amine Formula: C20H23BrN3+ MolecularWeight: 385.32072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)N=CC(=CC3=CC=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)/N=C/C(=C/C3=CC=CC=C3)/Br

InChI

InChI=1S/C20H22BrN3/c21-20(15-18-7-3-1-4-8-18)16-22-24-13-11-23(12-14-24)17-19-9-5-2-6-10-19/h1-10,15-16H,11-14,17H2/p+1/b20-15-,22-16+