1-[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-(1-methoxypropan-2-ylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-[(2-methoxy-1-methyl-ethyl)amino]-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-keto-2-[(2-methoxy-1-methyl-ethyl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C12H18ClN3O3 MolecularWeight: 287.74262

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=O)C[N+]1=CC=CC(=C1)C(=O)N.[Cl-]

Isomeric SMILES

CC(COC)NC(=O)C[N+]1=CC=CC(=C1)C(=O)N.[Cl-]

InChI

InChI=1S/C12H17N3O3.ClH/c1-9(8-18-2)14-11(16)7-15-5-3-4-10(6-15)12(13)17;/h3-6,9H,7-8H2,1-2H3,(H2-,13,14,16,17);1H