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

Systemtic Name: 3-[(S)-azepan-1-ium-1-yl-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]-7-methoxy-1H-quinolin-2-one Openeye Name: 3-[(S)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-7-methoxy-1H-quinolin-2-one CAS Name: 3-[(S)-1-azepan-1-iumyl-(1-tert-butyl-5-tetrazolyl)methyl]-7-methoxy-1H-quinolin-2-one IUPAC Name: 3-[(S)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-7-methoxy-1H-quinolin-2-one Traditional Name: 3-[(S)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-7-methoxy-carbostyril Formula: C22H31N6O2+ MolecularWeight: 411.52054

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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+]4CCCCCC4

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)[C@H](C2=CC3=C(C=C(C=C3)OC)NC2=O)[NH+]4CCCCCC4

InChI

InChI=1S/C22H30N6O2/c1-22(2,3)28-20(24-25-26-28)19(27-11-7-5-6-8-12-27)17-13-15-9-10-16(30-4)14-18(15)23-21(17)29/h9-10,13-14,19H,5-8,11-12H2,1-4H3,(H,23,29)/p+1/t19-/m0/s1