methyl 1-[1-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[1-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-piperidyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[1-[3-(2-oxo-1-pyrrolidinyl)phenyl]-4-piperidinyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[1-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[1-[3-(2-ketopyrrolidino)phenyl]-4-piperidyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=CC=CC(=C3)N4CCCC4=O

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=CC=CC(=C3)N4CCCC4=O

InChI

InChI=1S/C22H31N3O3/c1-28-22(27)17-7-12-23(13-8-17)18-9-14-24(15-10-18)19-4-2-5-20(16-19)25-11-3-6-21(25)26/h2,4-5,16-18H,3,6-15H2,1H3/p+1