[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium

Systemtic Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium Openeye Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-[[1-(3-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-[(1-pyridin-3-ylpyrrol-2-yl)methyl]azanium Traditional Name: [(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-[[1-(3-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C25H28N5+ MolecularWeight: 398.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=C(C1)N(N=C2)C3=CC=CC=C3)[NH2+]CC4=CC=CN4C5=CN=CC=C5)C

Isomeric SMILES

CC1(C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=C3)[NH2+]CC4=CC=CN4C5=CN=CC=C5)C

InChI

InChI=1S/C25H27N5/c1-25(2)14-23(22-18-28-30(24(22)15-25)19-8-4-3-5-9-19)27-17-21-11-7-13-29(21)20-10-6-12-26-16-20/h3-13,16,18,23,27H,14-15,17H2,1-2H3/p+1/t23-/m0/s1