3-[(R)-azepan-1-ium-1-yl-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)methyl]-6-ethoxy-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-ethoxy-1H-quinolin-2-one Openeye Name: 3-[(R)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one CAS Name: 3-[(R)-1-azepan-1-iumyl-(1-tert-butyl-5-tetrazolyl)methyl]-6-ethoxy-1H-quinolin-2-one IUPAC Name: 3-[(R)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one Traditional Name: 3-[(R)-azepan-1-ium-1-yl-(1-tert-butyltetrazol-5-yl)methyl]-6-ethoxy-carbostyril Formula: C23H33N6O2+ MolecularWeight: 425.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C(C)(C)C)[NH+]4CCCCCC4

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)[C@H](C3=NN=NN3C(C)(C)C)[NH+]4CCCCCC4

InChI

InChI=1S/C23H32N6O2/c1-5-31-17-10-11-19-16(14-17)15-18(22(30)24-19)20(28-12-8-6-7-9-13-28)21-25-26-27-29(21)23(2,3)4/h10-11,14-15,20H,5-9,12-13H2,1-4H3,(H,24,30)/p+1/t20-/m1/s1