1H-benzimidazol-2-ylmethyl-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C23H26N5+ MolecularWeight: 372.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(CCC3)[NH2+]CC4=NC5=CC=CC=C5N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C3=C(C=N2)[C@@H](CCC3)[NH2+]CC4=NC5=CC=CC=C5N4)C

InChI

InChI=1S/C23H25N5/c1-15-10-16(2)12-17(11-15)28-22-9-5-8-19(18(22)13-25-28)24-14-23-26-20-6-3-4-7-21(20)27-23/h3-4,6-7,10-13,19,24H,5,8-9,14H2,1-2H3,(H,26,27)/p+1/t19-/m1/s1