ethyl 4-(cyclopropylmethyl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[4-(methylthio)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H30NO2S+ MolecularWeight: 348.5227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)SC)CC3CC3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)SC)CC3CC3

InChI

InChI=1S/C20H29NO2S/c1-3-23-19(22)20(14-16-4-5-16)10-12-21(13-11-20)15-17-6-8-18(24-2)9-7-17/h6-9,16H,3-5,10-15H2,1-2H3/p+1