(4-acetamidophenyl)methyl-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(4S)-6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(4S)-6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]ammonium Formula: C25H31N4O+ MolecularWeight: 403.53984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(CC(C3)(C)C)[NH2+]CC4=CC=C(C=C4)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)[C@H](CC(C3)(C)C)[NH2+]CC4=CC=C(C=C4)NC(=O)C

InChI

InChI=1S/C25H30N4O/c1-17-5-11-21(12-6-17)29-24-14-25(3,4)13-23(22(24)16-27-29)26-15-19-7-9-20(10-8-19)28-18(2)30/h5-12,16,23,26H,13-15H2,1-4H3,(H,28,30)/p+1/t23-/m0/s1