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

Systemtic Name: 6-methyl-3-[(S)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-morpholin-4-ium-4-yl-methyl]-1H-quinolin-2-one Openeye Name: 3-[(S)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-morpholin-4-ium-4-yl-methyl]-6-methyl-1H-quinolin-2-one CAS Name: 6-methyl-3-[(S)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]-(4-morpholin-4-iumyl)methyl]-1H-quinolin-2-one IUPAC Name: 6-methyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-morpholin-4-ium-4-ylmethyl]-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-amyltetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]-6-methyl-carbostyril Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=CC(=C3)C)NC2=O)[NH+]4CCOCC4

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)[C@H](C2=CC3=C(C=CC(=C3)C)NC2=O)[NH+]4CCOCC4

InChI

InChI=1S/C21H28N6O2/c1-5-21(3,4)27-19(23-24-25-27)18(26-8-10-29-11-9-26)16-13-15-12-14(2)6-7-17(15)22-20(16)28/h6-7,12-13,18H,5,8-11H2,1-4H3,(H,22,28)/p+1/t18-/m0/s1