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

Systemtic Name: (E)-2-bromanyl-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-imine Openeye Name: (E)-2-bromo-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-imine CAS Name: (E)-2-bromo-N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-imine IUPAC Name: (E)-2-bromo-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine Traditional Name: (Z)-[(E)-2-bromo-3-phenyl-prop-2-enylidene]-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]amine Formula: C20H22BrClN3+ MolecularWeight: 419.76578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3/c21-19(14-17-4-2-1-3-5-17)15-23-25-12-10-24(11-13-25)16-18-6-8-20(22)9-7-18/h1-9,14-15H,10-13,16H2/p+1/b19-14+,23-15-