4-[1-[2-(dimethylazaniumyl)ethyl]-2,3-dihydroindol-5-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[1-[2-(dimethylazaniumyl)ethyl]-2,3-dihydroindol-5-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[1-[2-(dimethylammonio)ethyl]indolin-5-yl]-4-oxo-butanoate CAS Name: 4-[1-[2-(dimethylammonio)ethyl]-2,3-dihydroindol-5-yl]-4-oxobutanoate IUPAC Name: 4-[1-[2-(dimethylazaniumyl)ethyl]-2,3-dihydroindol-5-yl]-4-oxobutanoate Traditional Name: 4-[1-[2-(dimethylammonio)ethyl]indolin-5-yl]-4-keto-butyrate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1CCC2=C1C=CC(=C2)C(=O)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCN1CCC2=C1C=CC(=C2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c1-17(2)9-10-18-8-7-12-11-13(3-4-14(12)18)15(19)5-6-16(20)21/h3-4,11H,5-10H2,1-2H3,(H,20,21)