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

Systemtic Name: 3-[(R)-(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]-6-methyl-1H-quinolin-2-one Openeye Name: 3-[(R)-(1-cyclohexyltetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]-6-methyl-1H-quinolin-2-one CAS Name: 3-[(R)-(1-cyclohexyl-5-tetrazolyl)-(1-pyrrolidin-1-iumyl)methyl]-6-methyl-1H-quinolin-2-one IUPAC Name: 3-[(R)-(1-cyclohexyltetrazol-5-yl)-pyrrolidin-1-ium-1-ylmethyl]-6-methyl-1H-quinolin-2-one Traditional Name: 3-[(R)-(1-cyclohexyltetrazol-5-yl)-pyrrolidin-1-ium-1-yl-methyl]-6-methyl-carbostyril Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCCC4)[NH+]5CCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)[C@H](C3=NN=NN3C4CCCCC4)[NH+]5CCCC5

InChI

InChI=1S/C22H28N6O/c1-15-9-10-19-16(13-15)14-18(22(29)23-19)20(27-11-5-6-12-27)21-24-25-26-28(21)17-7-3-2-4-8-17/h9-10,13-14,17,20H,2-8,11-12H2,1H3,(H,23,29)/p+1/t20-/m1/s1