(3-methylphenyl)methyl-[2-[(2S)-1-(3-methylsulfanylpropyl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl]azanium

Systemtic Name: (3-methylphenyl)methyl-[2-[(2S)-1-(3-methylsulfanylpropyl)-5-oxidanylidene-pyrrolidin-2-yl]ethyl]azanium Openeye Name: 2-[(2S)-1-(3-methylsulfanylpropyl)-5-oxo-pyrrolidin-2-yl]ethyl-(m-tolylmethyl)ammonium CAS Name: (3-methylphenyl)methyl-[2-[(2S)-1-[3-(methylthio)propyl]-5-oxo-2-pyrrolidinyl]ethyl]ammonium IUPAC Name: (3-methylphenyl)methyl-[2-[(2S)-1-(3-methylsulfanylpropyl)-5-oxopyrrolidin-2-yl]ethyl]azanium Traditional Name: 2-[(2S)-5-keto-1-[3-(methylthio)propyl]pyrrolidin-2-yl]ethyl-(3-methylbenzyl)ammonium Formula: C18H29N2OS+ MolecularWeight: 321.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH2+]CCC2CCC(=O)N2CCCSC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH2+]CC[C@@H]2CCC(=O)N2CCCSC

InChI

InChI=1S/C18H28N2OS/c1-15-5-3-6-16(13-15)14-19-10-9-17-7-8-18(21)20(17)11-4-12-22-2/h3,5-6,13,17,19H,4,7-12,14H2,1-2H3/p+1/t17-/m0/s1