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

Systemtic Name: (Z)-2-bromanyl-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-imine Openeye Name: (Z)-2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenyl-prop-2-en-1-imine CAS Name: (Z)-2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]-3-phenyl-2-propen-1-imine IUPAC Name: (Z)-2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine Traditional Name: (Z)-[(Z)-2-bromo-3-phenyl-prop-2-enylidene]-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amine Formula: C22H27BrN3+ MolecularWeight: 413.37388

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3/c1-18-8-9-21(19(2)14-18)17-25-10-12-26(13-11-25)24-16-22(23)15-20-6-4-3-5-7-20/h3-9,14-16H,10-13,17H2,1-2H3/p+1/b22-15-,24-16-