1-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyridin-1-ium-3-carboxamide Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C15H17N3O2/c1-10-7-13(11(2)17(10)3)14(19)9-18-6-4-5-12(8-18)15(16)20/h4-8H,9H2,1-3H3,(H-,16,20)/p+1