1-[(4-bromophenyl)methyl]-N-[(Z)-1-phenylethylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-1-phenylethylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-1-phenylethylideneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-1-phenylethylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-1-phenylethylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-1-phenylethylideneamino]piperidin-1-ium-4-carboxamide Formula: C21H25BrN3O+ MolecularWeight: 415.3467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O/c1-16(18-5-3-2-4-6-18)23-24-21(26)19-11-13-25(14-12-19)15-17-7-9-20(22)10-8-17/h2-10,19H,11-15H2,1H3,(H,24,26)/p+1/b23-16-