ethyl 4-phenyl-1-(2-phenylsulfanylethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-phenyl-1-(2-phenylsulfanylethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-phenyl-1-(2-phenylsulfanylethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-phenyl-1-[2-(phenylthio)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-1-(2-phenylsulfanylethyl)piperidin-1-ium-4-carboxylate Traditional Name: 4-phenyl-1-[2-(phenylthio)ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H28NO2S+ MolecularWeight: 370.52822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCSC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCSC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO2S/c1-2-25-21(24)22(19-9-5-3-6-10-19)13-15-23(16-14-22)17-18-26-20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3/p+1