1-(phenylmethyl)-N-(propan-2-ylideneamino)pyridin-1-ium-3-carboxamide bromide

Systemtic Name: 1-(phenylmethyl)-N-(propan-2-ylideneamino)pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-benzyl-N-(isopropylideneamino)pyridin-1-ium-3-carboxamide bromide CAS Name: 1-(phenylmethyl)-N-(propan-2-ylideneamino)-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-benzyl-N-(propan-2-ylideneamino)pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-benzyl-N-(isopropylideneamino)pyridin-1-ium-3-carboxamide bromide Formula: C16H18BrN3O MolecularWeight: 348.23762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2)C.[Br-]

Isomeric SMILES

CC(=NNC(=O)C1=C[N+](=CC=C1)CC2=CC=CC=C2)C.[Br-]

InChI

InChI=1S/C16H17N3O.BrH/c1-13(2)17-18-16(20)15-9-6-10-19(12-15)11-14-7-4-3-5-8-14;/h3-10,12H,11H2,1-2H3;1H