ethyl 1-(3-phenylsulfanylpropyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(3-phenylsulfanylpropyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(3-phenylsulfanylpropyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(phenylthio)propyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-phenylsulfanylpropyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(phenylthio)propyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H26NO2S+ MolecularWeight: 308.45884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CCCSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CCCSC2=CC=CC=C2

InChI

InChI=1S/C17H25NO2S/c1-2-20-17(19)15-9-12-18(13-10-15)11-6-14-21-16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3/p+1