ethyl (3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate CAS Name: (3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-(2-phenoxyethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-(2-phenoxyethyl)nipecotic acid ethyl ester Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)C2CC[NH+](CC2)C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)C2CC[NH+](CC2)C)CCOC3=CC=CC=C3

InChI

InChI=1S/C22H34N2O3/c1-3-26-21(25)22(13-17-27-20-8-5-4-6-9-20)12-7-14-24(18-22)19-10-15-23(2)16-11-19/h4-6,8-9,19H,3,7,10-18H2,1-2H3/p+1/t22-/m0/s1