3-[(R)-azepan-1-ium-1-yl-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one

Systemtic Name: 3-[(R)-azepan-1-ium-1-yl-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one Openeye Name: 3-[(R)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one CAS Name: 3-[(R)-1-azepan-1-iumyl-(1-tert-butyl-5-tetrazolyl)methyl]-5,8-dimethyl-1H-quinolin-2-one IUPAC Name: 3-[(R)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-5,8-dimethyl-1H-quinolin-2-one Traditional Name: 3-[(R)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-5,8-dimethyl-carbostyril Formula: C23H33N6O+ MolecularWeight: 409.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=O)NC2=C(C=C1)C)C(C3=NN=NN3C(C)(C)C)[NH+]4CCCCCC4

Isomeric SMILES

CC1=C2C=C(C(=O)NC2=C(C=C1)C)[C@H](C3=NN=NN3C(C)(C)C)[NH+]4CCCCCC4

InChI

InChI=1S/C23H32N6O/c1-15-10-11-16(2)19-17(15)14-18(22(30)24-19)20(28-12-8-6-7-9-13-28)21-25-26-27-29(21)23(3,4)5/h10-11,14,20H,6-9,12-13H2,1-5H3,(H,24,30)/p+1/t20-/m1/s1