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

Systemtic Name: 1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)C[N+]2=CC=CC(=C2)C(=O)N)C

InChI

InChI=1S/C17H21N3O2/c1-4-7-20-12(2)9-15(13(20)3)16(21)11-19-8-5-6-14(10-19)17(18)22/h5-6,8-10H,4,7,11H2,1-3H3,(H-,18,22)/p+1