ethyl 1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(indan-5-ylamino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(indan-5-ylamino)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(CCC3)C=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C19H26N2O3/c1-2-24-19(23)15-8-10-21(11-9-15)13-18(22)20-17-7-6-14-4-3-5-16(14)12-17/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,20,22)/p+1