1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(indan-5-ylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(indan-5-ylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C17H18ClN3O2 MolecularWeight: 331.79672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N.[Cl-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)C[N+]3=CC=CC(=C3)C(=O)N.[Cl-]

InChI

InChI=1S/C17H17N3O2.ClH/c18-17(22)14-5-2-8-20(10-14)11-16(21)19-15-7-6-12-3-1-4-13(12)9-15;/h2,5-10H,1,3-4,11H2,(H2-,18,19,21,22);1H