1-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C16H18N3O3+ MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C16H17N3O3/c1-9-14(11(3)20)10(2)18-15(9)13(21)8-19-6-4-5-12(7-19)16(17)22/h4-7H,8H2,1-3H3,(H2-,17,18,20,21,22)/p+1