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

Systemtic Name: N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(4S)-6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(4S)-6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)C[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)[C@H](CC(C3)(C)C)NC(=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H32N4O/c1-17-7-9-18(10-8-17)27-21-14-23(2,3)13-20(19(21)15-24-27)25-22(28)16-26-11-5-4-6-12-26/h7-10,15,20H,4-6,11-14,16H2,1-3H3,(H,25,28)/p+1/t20-/m0/s1