1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-3-pyridylmethyleneamino]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-3-pyridinylmethylideneamino]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-bromophenyl)methyl]-N-[(Z)-pyridin-3-ylmethylideneamino]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-bromobenzyl)-N-[(Z)-3-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=CN=CC=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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