3-[(S)-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-6-ethyl-1H-quinolin-2-one

Systemtic Name: 3-[(S)-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-6-ethyl-1H-quinolin-2-one Openeye Name: 3-[(S)-(1-cyclopentyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-6-ethyl-1H-quinolin-2-one CAS Name: 3-[(S)-(1-cyclopentyl-5-tetrazolyl)-(1-piperidin-1-iumyl)methyl]-6-ethyl-1H-quinolin-2-one IUPAC Name: 3-[(S)-(1-cyclopentyltetrazol-5-yl)-piperidin-1-ium-1-ylmethyl]-6-ethyl-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-cyclopentyltetrazol-5-yl)-piperidin-1-ium-1-yl-methyl]-6-ethyl-carbostyril Formula: C23H31N6O+ MolecularWeight: 407.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)C(C3=NN=NN3C4CCCC4)[NH+]5CCCCC5

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)[C@@H](C3=NN=NN3C4CCCC4)[NH+]5CCCCC5

InChI

InChI=1S/C23H30N6O/c1-2-16-10-11-20-17(14-16)15-19(23(30)24-20)21(28-12-6-3-7-13-28)22-25-26-27-29(22)18-8-4-5-9-18/h10-11,14-15,18,21H,2-9,12-13H2,1H3,(H,24,30)/p+1/t21-/m0/s1