ethyl (3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-(2-methoxyethyl)-1-(1-phenyl-4-piperidyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-(2-methoxyethyl)-1-(1-phenyl-4-piperidinyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(2-methoxyethyl)-1-(1-phenylpiperidin-4-yl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(2-methoxyethyl)-1-(1-phenyl-4-piperidyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C2CCN(CC2)C3=CC=CC=C3)CCOC

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)C2CCN(CC2)C3=CC=CC=C3)CCOC

InChI

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