7,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-(4-methylpiperidin-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-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-2-one Openeye Name: 3-[(S)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-(4-methylpiperidin-1-ium-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one CAS Name: 7,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]-(4-methyl-1-piperidin-1-iumyl)methyl]-1H-quinolin-2-one IUPAC Name: 7,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperidin-1-ium-1-yl)methyl]-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-amyltetrazol-5-yl)-(4-methylpiperidin-1-ium-1-yl)methyl]-7,8-dimethyl-carbostyril Formula: C24H35N6O+ MolecularWeight: 423.5743

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H34N6O/c1-7-24(5,6)30-22(26-27-28-30)21(29-12-10-15(2)11-13-29)19-14-18-9-8-16(3)17(4)20(18)25-23(19)31/h8-9,14-15,21H,7,10-13H2,1-6H3,(H,25,31)/p+1/t21-/m0/s1