3-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one

Systemtic Name: 3-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one Openeye Name: 3-[(S)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-methyl-1H-quinolin-2-one CAS Name: 3-[(S)-(4-ethyl-1-piperazine-1,4-diiumyl)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]-7-methyl-1H-quinolin-2-one IUPAC Name: 3-[(S)-(4-ethylpiperazine-1,4-diium-1-yl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-7-methyl-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-amyltetrazol-5-yl)-(4-ethylpiperazine-1,4-diium-1-yl)methyl]-7-methyl-carbostyril Formula: C23H35N7O+2 MolecularWeight: 425.5703

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)N1C(=NN=N1)C(C2=CC3=C(C=C(C=C3)C)NC2=O)[NH+]4CC[NH+](CC4)CC

Isomeric SMILES

CCC(C)(C)N1C(=NN=N1)[C@H](C2=CC3=C(C=C(C=C3)C)NC2=O)[NH+]4CC[NH+](CC4)CC

InChI

InChI=1S/C23H33N7O/c1-6-23(4,5)30-21(25-26-27-30)20(29-12-10-28(7-2)11-13-29)18-15-17-9-8-16(3)14-19(17)24-22(18)31/h8-9,14-15,20H,6-7,10-13H2,1-5H3,(H,24,31)/p+2/t20-/m0/s1