1-[(4-bromophenyl)methyl]-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-[(E)-1-methyl-3-phenyl-prop-2-enylidene]amino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-[(E)-1-methyl-3-phenyl-prop-2-enylidene]amino]piperidin-1-ium-4-carboxamide Formula: C23H27BrN3O+ MolecularWeight: 441.38398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)Br)C=CC3=CC=CC=C3

Isomeric SMILES

C/C(=N/NC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)Br)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H26BrN3O/c1-18(7-8-19-5-3-2-4-6-19)25-26-23(28)21-13-15-27(16-14-21)17-20-9-11-22(24)12-10-20/h2-12,21H,13-17H2,1H3,(H,26,28)/p+1/b8-7+,25-18-