(5S)-1-(cyclohexylmethyl)-N-methyl-5-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

Systemtic Name: (5S)-1-(cyclohexylmethyl)-N-methyl-5-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide Openeye Name: (5S)-1-(cyclohexylmethyl)-N-methyl-5-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide CAS Name: (5S)-1-(cyclohexylmethyl)-N-methyl-5-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]-4,5,6,7-tetrahydroindazole-3-carboxamide IUPAC Name: (5S)-1-(cyclohexylmethyl)-N-methyl-5-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide Traditional Name: (5S)-1-(cyclohexylmethyl)-N-methyl-5-[4-(2-thenoyl)piperazin-1-ium-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide Formula: C25H36N5O2S+ MolecularWeight: 470.65064

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C2=C1CC(CC2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4)CC5CCCCC5

Isomeric SMILES

CNC(=O)C1=NN(C2=C1C[C@H](CC2)[NH+]3CCN(CC3)C(=O)C4=CC=CS4)CC5CCCCC5

InChI

InChI=1S/C25H35N5O2S/c1-26-24(31)23-20-16-19(9-10-21(20)30(27-23)17-18-6-3-2-4-7-18)28-11-13-29(14-12-28)25(32)22-8-5-15-33-22/h5,8,15,18-19H,2-4,6-7,9-14,16-17H2,1H3,(H,26,31)/p+1/t19-/m0/s1