N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(4-ethylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(4-ethylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(4S)-6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]-2-(4-ethylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(4-ethyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(4-ethylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(4S)-6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]-2-(4-ethylpiperazin-1-ium-1-yl)acetamide Formula: C24H36N5O+ MolecularWeight: 410.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)NC2CC(CC3=C2C=NN3C4=CC=C(C=C4)C)(C)C

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)N[C@H]2CC(CC3=C2C=NN3C4=CC=C(C=C4)C)(C)C

InChI

InChI=1S/C24H35N5O/c1-5-27-10-12-28(13-11-27)17-23(30)26-21-14-24(3,4)15-22-20(21)16-25-29(22)19-8-6-18(2)7-9-19/h6-9,16,21H,5,10-15,17H2,1-4H3,(H,26,30)/p+1/t21-/m0/s1