3-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-6,7-dimethoxy-1H-quinolin-2-one

Systemtic Name: 3-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-6,7-dimethoxy-1H-quinolin-2-one Openeye Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-6,7-dimethoxy-1H-quinolin-2-one CAS Name: 3-[(S)-(1-tert-butyl-5-tetrazolyl)-(1-piperidin-1-iumyl)methyl]-6,7-dimethoxy-1H-quinolin-2-one IUPAC Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-6,7-dimethoxy-carbostyril Formula: C22H31N6O3+ MolecularWeight: 427.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O3/c1-22(2,3)28-20(24-25-26-28)19(27-9-7-6-8-10-27)15-11-14-12-17(30-4)18(31-5)13-16(14)23-21(15)29/h11-13,19H,6-10H2,1-5H3,(H,23,29)/p+1/t19-/m0/s1