7,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-2-one

Systemtic Name: 7,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-2-one Openeye Name: 3-[(S)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-(4-hydroxypiperidin-1-ium-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one CAS Name: 3-[(S)-(4-hydroxy-1-piperidin-1-iumyl)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7,8-dimethyl-1H-quinolin-2-one IUPAC Name: 3-[(S)-(4-hydroxypiperidin-1-ium-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-amyltetrazol-5-yl)-(4-hydroxypiperidin-1-ium-1-yl)methyl]-7,8-dimethyl-carbostyril Formula: C23H33N6O2+ MolecularWeight: 425.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C(=C(C=C3)C)C)NC2=O)[NH+]4CCC(CC4)O

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)[C@H](C2=CC3=C(C(=C(C=C3)C)C)NC2=O)[NH+]4CCC(CC4)O

InChI

InChI=1S/C23H32N6O2/c1-6-23(4,5)29-21(25-26-27-29)20(28-11-9-17(30)10-12-28)18-13-16-8-7-14(2)15(3)19(16)24-22(18)31/h7-8,13,17,20,30H,6,9-12H2,1-5H3,(H,24,31)/p+1/t20-/m0/s1