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

Systemtic Name: 3-[(R)-azepan-1-ium-1-yl-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one Openeye Name: 3-[(R)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one CAS Name: 3-[(R)-1-azepan-1-iumyl-(1-tert-butyl-5-tetrazolyl)methyl]-6-methyl-1H-quinolin-2-one IUPAC Name: 3-[(R)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one Traditional Name: 3-[(R)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-6-methyl-carbostyril Formula: C22H31N6O+ MolecularWeight: 395.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)[C@H](C3=NN=NN3C(C)(C)C)[NH+]4CCCCCC4

InChI

InChI=1S/C22H30N6O/c1-15-9-10-18-16(13-15)14-17(21(29)23-18)19(27-11-7-5-6-8-12-27)20-24-25-26-28(20)22(2,3)4/h9-10,13-14,19H,5-8,11-12H2,1-4H3,(H,23,29)/p+1/t19-/m1/s1