3-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-pyrrolidin-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)-pyrrolidin-1-ium-1-yl-methyl]-6,7-dimethoxy-1H-quinolin-2-one Openeye Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]-6,7-dimethoxy-1H-quinolin-2-one CAS Name: 3-[(S)-(1-tert-butyl-5-tetrazolyl)-(1-pyrrolidin-1-iumyl)methyl]-6,7-dimethoxy-1H-quinolin-2-one IUPAC Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-pyrrolidin-1-ium-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]-6,7-dimethoxy-carbostyril Formula: C21H29N6O3+ MolecularWeight: 413.49336

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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+]4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O3/c1-21(2,3)27-19(23-24-25-27)18(26-8-6-7-9-26)14-10-13-11-16(29-4)17(30-5)12-15(13)22-20(14)28/h10-12,18H,6-9H2,1-5H3,(H,22,28)/p+1/t18-/m0/s1