methyl 1-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-oxo-2-[2-(p-tolylmethylsulfanyl)ethylamino]ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2-[(4-methylphenyl)methylthio]ethylamino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-[(4-methylphenyl)methylsulfanyl]ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-[2-[(4-methylbenzyl)thio]ethylamino]ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H29N2O3S+ MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+]2CCC(CC2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C[NH+]2CCC(CC2)C(=O)OC

InChI

InChI=1S/C19H28N2O3S/c1-15-3-5-16(6-4-15)14-25-12-9-20-18(22)13-21-10-7-17(8-11-21)19(23)24-2/h3-6,17H,7-14H2,1-2H3,(H,20,22)/p+1