[(3R)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(5-methylthiophen-2-yl)methyl]azanium

Systemtic Name: [(3R)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(5-methylthiophen-2-yl)methyl]azanium Openeye Name: [(3R)-3-hydroxy-1-(m-tolylmethyl)-2-oxo-3-piperidyl]methyl-[(5-methyl-2-thienyl)methyl]ammonium CAS Name: [(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-3-piperidinyl]methyl-[(5-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: [(3R)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methyl-[(5-methylthiophen-2-yl)methyl]azanium Traditional Name: [(3R)-3-hydroxy-2-keto-1-(3-methylbenzyl)-3-piperidyl]methyl-[(5-methyl-2-thienyl)methyl]ammonium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH2+]CC3=CC=C(S3)C)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@](C2=O)(C[NH2+]CC3=CC=C(S3)C)O

InChI

InChI=1S/C20H26N2O2S/c1-15-5-3-6-17(11-15)13-22-10-4-9-20(24,19(22)23)14-21-12-18-8-7-16(2)25-18/h3,5-8,11,21,24H,4,9-10,12-14H2,1-2H3/p+1/t20-/m1/s1