7,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one

Systemtic Name: 7,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-1,2,3,4-tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one Openeye Name: 3-[(S)-[1-(1,1-dimethylpropyl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one CAS Name: 7,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)-5-tetrazolyl]-(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1H-quinolin-2-one IUPAC Name: 7,8-dimethyl-3-[(S)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]-(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-2-one Traditional Name: 3-[(S)-(1-tert-amyltetrazol-5-yl)-(4-methylpiperazine-1,4-diium-1-yl)methyl]-7,8-dimethyl-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)C)NC2=O)[NH+]4CC[NH+](CC4)C

Isomeric SMILES

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

InChI

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