N-(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)-1-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)-1-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: N-[2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-1-benzyl-pyridin-1-ium-3-carboxamide CAS Name: N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(1-amino-3-hydroxy-1-oxopropan-2-yl)-1-benzylpyridin-1-ium-3-carboxamide Traditional Name: N-(2-amino-2-keto-1-methylol-ethyl)-1-benzyl-pyridin-1-ium-3-carboxamide Formula: C16H18N3O3+ MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)NC(CO)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)NC(CO)C(=O)N

InChI

InChI=1S/C16H17N3O3/c17-15(21)14(11-20)18-16(22)13-7-4-8-19(10-13)9-12-5-2-1-3-6-12/h1-8,10,14,20H,9,11H2,(H2-,17,18,21,22)/p+1