ethyl (3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(1-phenethyl-4-piperidin-1-iumyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(1-phenethylpiperidin-1-ium-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(1-phenethylpiperidin-1-ium-4-yl)nipecotic acid ethyl ester Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H32N2O2/c1-2-25-21(24)19-9-6-13-23(17-19)20-11-15-22(16-12-20)14-10-18-7-4-3-5-8-18/h3-5,7-8,19-20H,2,6,9-17H2,1H3/p+1/t19-/m0/s1