[(3R)-4-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfanyl]-3-oxidanyl-butyl]azanium

Systemtic Name: [(3R)-4-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfanyl]-3-oxidanyl-butyl]azanium Openeye Name: [(3R)-4-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfanyl]-3-hydroxy-butyl]ammonium CAS Name: [(3R)-4-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)thio]-3-hydroxybutyl]ammonium IUPAC Name: [(3R)-4-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfanyl]-3-hydroxybutyl]azanium Traditional Name: [(3R)-4-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)thio]-3-hydroxy-butyl]ammonium Formula: C15H23N2O2S+ MolecularWeight: 295.42032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC2=C1C=CC(=C2)SCC(CC[NH3+])O

Isomeric SMILES

CC(=O)N1CCCC2=C1C=CC(=C2)SC[C@@H](CC[NH3+])O

InChI

InChI=1S/C15H22N2O2S/c1-11(18)17-8-2-3-12-9-14(4-5-15(12)17)20-10-13(19)6-7-16/h4-5,9,13,19H,2-3,6-8,10,16H2,1H3/p+1/t13-/m1/s1