cyclohexyl-methyl-[5-[(2-oxidanylidene-1H-quinolin-6-yl)oxy]pentanoyl]-(2-oxidanyl-3-sulfanyl-propyl)azanium

Systemtic Name: cyclohexyl-methyl-[5-[(2-oxidanylidene-1H-quinolin-6-yl)oxy]pentanoyl]-(2-oxidanyl-3-sulfanyl-propyl)azanium Openeye Name: cyclohexyl-(2-hydroxy-3-sulfanyl-propyl)-methyl-[5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanoyl]ammonium CAS Name: cyclohexyl-(2-hydroxy-3-mercaptopropyl)-methyl-[1-oxo-5-[(2-oxo-1H-quinolin-6-yl)oxy]pentyl]ammonium IUPAC Name: cyclohexyl-(2-hydroxy-3-sulfanylpropyl)-methyl-[5-[(2-oxo-1H-quinolin-6-yl)oxy]pentanoyl]azanium Traditional Name: cyclohexyl-(2-hydroxy-3-mercapto-propyl)-[5-[(2-keto-1H-quinolin-6-yl)oxy]pentanoyl]-methyl-ammonium Formula: C24H35N2O4S+ MolecularWeight: 447.6107

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](CC(CS)O)(C1CCCCC1)C(=O)CCCCOC2=CC3=C(C=C2)NC(=O)C=C3

Isomeric SMILES

C[N+](CC(CS)O)(C1CCCCC1)C(=O)CCCCOC2=CC3=C(C=C2)NC(=O)C=C3

InChI

InChI=1S/C24H34N2O4S/c1-26(16-20(27)17-31,19-7-3-2-4-8-19)24(29)9-5-6-14-30-21-11-12-22-18(15-21)10-13-23(28)25-22/h10-13,15,19-20,27H,2-9,14,16-17H2,1H3,(H-,25,28,31)/p+1