(2,4-dimethoxy-3-methyl-phenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium

Systemtic Name: (2,4-dimethoxy-3-methyl-phenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: (2,4-dimethoxy-3-methyl-phenyl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: (2,4-dimethoxy-3-methylphenyl)methyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: (2,4-dimethoxy-3-methylphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: (2,4-dimethoxy-3-methyl-benzyl)-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OC)C[NH2+]C2CCCC3=C2C=NN3C4=CC=CC=N4)OC

Isomeric SMILES

CC1=C(C=CC(=C1OC)C[NH2+][C@H]2CCCC3=C2C=NN3C4=CC=CC=N4)OC

InChI

InChI=1S/C22H26N4O2/c1-15-20(27-2)11-10-16(22(15)28-3)13-24-18-7-6-8-19-17(18)14-25-26(19)21-9-4-5-12-23-21/h4-5,9-12,14,18,24H,6-8,13H2,1-3H3/p+1/t18-/m0/s1