1-[(4-bromophenyl)methyl]-N-[(E)-1-(4-methylphenyl)ethylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(E)-1-(4-methylphenyl)ethylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(E)-1-(p-tolyl)ethylideneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(E)-1-(4-methylphenyl)ethylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(E)-1-(p-tolyl)ethylideneamino]piperidin-1-ium-4-carboxamide Formula: C22H27BrN3O+ MolecularWeight: 429.37328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=NNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O/c1-16-3-7-19(8-4-16)17(2)24-25-22(27)20-11-13-26(14-12-20)15-18-5-9-21(23)10-6-18/h3-10,20H,11-15H2,1-2H3,(H,25,27)/p+1/b24-17+