6,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-pyrrolidin-1-ium-1-yl-methyl]-1H-quinolin-2-one

Systemtic Name: 6,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-pyrrolidin-1-ium-1-yl-methyl]-1H-quinolin-2-one Openeye Name: 3-[(S)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-pyrrolidin-1-ium-1-yl-methyl]-6,8-dimethyl-1H-quinolin-2-one CAS Name: 6,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]-(1-pyrrolidin-1-iumyl)methyl]-1H-quinolin-2-one IUPAC Name: 6,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyrrolidin-1-ium-1-ylmethyl]-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-amyltetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]-6,8-dimethyl-carbostyril Formula: C22H31N6O+ MolecularWeight: 395.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC3=CC(=CC(=C3NC2=O)C)C)[NH+]4CCCC4

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)[C@H](C2=CC3=CC(=CC(=C3NC2=O)C)C)[NH+]4CCCC4

InChI

InChI=1S/C22H30N6O/c1-6-22(4,5)28-20(24-25-26-28)19(27-9-7-8-10-27)17-13-16-12-14(2)11-15(3)18(16)23-21(17)29/h11-13,19H,6-10H2,1-5H3,(H,23,29)/p+1/t19-/m0/s1