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

Systemtic Name: 3-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-7-methoxy-1H-quinolin-2-one Openeye Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-7-methoxy-1H-quinolin-2-one CAS Name: 3-[(S)-(1-tert-butyl-5-tetrazolyl)-(1-piperidin-1-iumyl)methyl]-7-methoxy-1H-quinolin-2-one IUPAC Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]-7-methoxy-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-7-methoxy-carbostyril Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C(C=C3)OC)NC2=O)[NH+]4CCCCC4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC3=C(C=C(C=C3)OC)NC2=O)[NH+]4CCCCC4

InChI

InChI=1S/C21H28N6O2/c1-21(2,3)27-19(23-24-25-27)18(26-10-6-5-7-11-26)16-12-14-8-9-15(29-4)13-17(14)22-20(16)28/h8-9,12-13,18H,5-7,10-11H2,1-4H3,(H,22,28)/p+1/t18-/m0/s1