[(1S,2R)-1-oxidanyl-1-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)butan-2-yl]-propan-2-yl-azanium

Systemtic Name: [(1S,2R)-1-oxidanyl-1-(8-oxidanyl-2-oxidanylidene-1H-quinolin-5-yl)butan-2-yl]-propan-2-yl-azanium Openeye Name: [(1R)-1-[(S)-hydroxy-(8-hydroxy-2-oxo-1H-quinolin-5-yl)methyl]propyl]-isopropyl-ammonium CAS Name: [(1S,2R)-1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)butan-2-yl]-propan-2-ylammonium IUPAC Name: [(1S,2R)-1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)butan-2-yl]-propan-2-ylazanium Traditional Name: [(1R)-1-[(S)-hydroxy-(8-hydroxy-2-keto-1H-quinolin-5-yl)methyl]propyl]-isopropyl-ammonium Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)[NH2+]C(C)C

Isomeric SMILES

CC[C@H]([C@H](C1=C2C=CC(=O)NC2=C(C=C1)O)O)[NH2+]C(C)C

InChI

InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)/p+1/t12-,16+/m1/s1