1-[(4-bromophenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-o-tolylmethyleneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-(2-methylphenyl)methylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-(2-methylbenzylidene)amino]piperidin-1-ium-4-carboxamide Formula: C21H25BrN3O+ MolecularWeight: 415.3467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=NNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1/C=N\NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

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