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

Systemtic Name: 3-[(R)-azepan-1-ium-1-yl-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one Openeye Name: 3-[(R)-azepan-1-ium-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one CAS Name: 3-[(R)-1-azepan-1-iumyl-(1-cyclohexyl-5-tetrazolyl)methyl]-8-methyl-1H-quinolin-2-one IUPAC Name: 3-[(R)-azepan-1-ium-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-8-methyl-1H-quinolin-2-one Traditional Name: 3-[(R)-azepan-1-ium-1-yl-(1-cyclohexyltetrazol-5-yl)methyl]-8-methyl-carbostyril Formula: C24H33N6O+ MolecularWeight: 421.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)C(C3=NN=NN3C4CCCCC4)[NH+]5CCCCCC5

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)[C@H](C3=NN=NN3C4CCCCC4)[NH+]5CCCCCC5

InChI

InChI=1S/C24H32N6O/c1-17-10-9-11-18-16-20(24(31)25-21(17)18)22(29-14-7-2-3-8-15-29)23-26-27-28-30(23)19-12-5-4-6-13-19/h9-11,16,19,22H,2-8,12-15H2,1H3,(H,25,31)/p+1/t22-/m1/s1