ethyl 4-(2-methoxyethyl)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-methoxyethyl)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(2-methoxyethyl)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(2-methoxyethyl)-1-[[3-(methylthio)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxyethyl)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-methoxyethyl)-1-[3-(methylthio)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H30NO3S+ MolecularWeight: 352.5114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO3S/c1-4-23-18(21)19(10-13-22-2)8-11-20(12-9-19)15-16-6-5-7-17(14-16)24-3/h5-7,14H,4,8-13,15H2,1-3H3/p+1