ethyl 1-(3-methylsulfanylpropyl)-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(3-methylsulfanylpropyl)-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(3-methylsulfanylpropyl)-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(methylthio)propyl]-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methylsulfanylpropyl)-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[3-(methylthio)propyl]-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32NO2S+ MolecularWeight: 350.53858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCCSC)CCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCCSC)CCC2=CC=CC=C2

InChI

InChI=1S/C20H31NO2S/c1-3-23-19(22)20(11-10-18-8-5-4-6-9-18)12-15-21(16-13-20)14-7-17-24-2/h4-6,8-9H,3,7,10-17H2,1-2H3/p+1