1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-2-pyridylmethyleneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-2-pyridinylmethylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-2-ylmethylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-2-pyridylmethyleneamino]piperidin-1-ium-4-carboxamide Formula: C19H22BrN4O+ MolecularWeight: 402.30818

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NN=CC2=CC=CC=N2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)N/N=C\C2=CC=CC=N2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN4O/c20-17-6-4-15(5-7-17)14-24-11-8-16(9-12-24)19(25)23-22-13-18-3-1-2-10-21-18/h1-7,10,13,16H,8-9,11-12,14H2,(H,23,25)/p+1/b22-13-