(4-methoxycarbonylphenyl)methyl-[2-[(2R)-1-(2-methylsulfanylethyl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[2-[(2R)-1-(2-methylsulfanylethyl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[2-[(2R)-1-(2-methylsulfanylethyl)-5-oxo-pyrrolidin-2-yl]ethyl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[2-[(2R)-1-[2-(methylthio)ethyl]-5-oxo-2-pyrrolidinyl]ethyl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[2-[(2R)-1-(2-methylsulfanylethyl)-5-oxopyrrolidin-2-yl]ethyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[2-[(2R)-5-keto-1-[2-(methylthio)ethyl]pyrrolidin-2-yl]ethyl]ammonium Formula: C18H27N2O3S+ MolecularWeight: 351.48358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]CCC2CCC(=O)N2CCSC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH2+]CC[C@H]2CCC(=O)N2CCSC

InChI

InChI=1S/C18H26N2O3S/c1-23-18(22)15-5-3-14(4-6-15)13-19-10-9-16-7-8-17(21)20(16)11-12-24-2/h3-6,16,19H,7-13H2,1-2H3/p+1/t16-/m1/s1