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

Systemtic Name: 5,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-piperidin-1-ium-1-yl-methyl]-1H-quinolin-2-one Openeye Name: 3-[(S)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-piperidin-1-ium-1-yl-methyl]-5,8-dimethyl-1H-quinolin-2-one CAS Name: 5,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]-(1-piperidin-1-iumyl)methyl]-1H-quinolin-2-one IUPAC Name: 5,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-piperidin-1-ium-1-ylmethyl]-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-amyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-5,8-dimethyl-carbostyril Formula: C23H33N6O+ MolecularWeight: 409.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=CC(=C3NC2=O)C)C)[NH+]4CCCCC4

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)[C@H](C2=CC3=C(C=CC(=C3NC2=O)C)C)[NH+]4CCCCC4

InChI

InChI=1S/C23H32N6O/c1-6-23(4,5)29-21(25-26-27-29)20(28-12-8-7-9-13-28)18-14-17-15(2)10-11-16(3)19(17)24-22(18)30/h10-11,14,20H,6-9,12-13H2,1-5H3,(H,24,30)/p+1/t20-/m0/s1