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

Systemtic Name: 3-[(S)-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]-6-methyl-1H-quinolin-2-one Openeye Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]-6-methyl-1H-quinolin-2-one CAS Name: 3-[(S)-(1-tert-butyl-5-tetrazolyl)-(4-morpholin-4-iumyl)methyl]-6-methyl-1H-quinolin-2-one IUPAC Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-morpholin-4-ium-4-ylmethyl]-6-methyl-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-butyltetrazol-5-yl)-morpholin-4-ium-4-yl-methyl]-6-methyl-carbostyril Formula: C20H27N6O2+ MolecularWeight: 383.46738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)[C@@H](C3=NN=NN3C(C)(C)C)[NH+]4CCOCC4

InChI

InChI=1S/C20H26N6O2/c1-13-5-6-16-14(11-13)12-15(19(27)21-16)17(25-7-9-28-10-8-25)18-22-23-24-26(18)20(2,3)4/h5-6,11-12,17H,7-10H2,1-4H3,(H,21,27)/p+1/t17-/m0/s1