1H-benzimidazol-2-ylmethyl-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[(4R)-6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[(4R)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[(4R)-6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]ammonium Formula: C24H28N5+ MolecularWeight: 386.51262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(CC(C3)(C)C)[NH2+]CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)[C@@H](CC(C3)(C)C)[NH2+]CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H27N5/c1-16-8-10-17(11-9-16)29-22-13-24(2,3)12-21(18(22)14-26-29)25-15-23-27-19-6-4-5-7-20(19)28-23/h4-11,14,21,25H,12-13,15H2,1-3H3,(H,27,28)/p+1/t21-/m1/s1