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

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: (4-benzyloxy-3-methoxy-phenyl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C27H29N4O2+ MolecularWeight: 441.54476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCC3=C2C=NN3C4=CC=CC=N4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+][C@H]2CCCC3=C2C=NN3C4=CC=CC=N4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-32-26-16-21(13-14-25(26)33-19-20-8-3-2-4-9-20)17-29-23-10-7-11-24-22(23)18-30-31(24)27-12-5-6-15-28-27/h2-6,8-9,12-16,18,23,29H,7,10-11,17,19H2,1H3/p+1/t23-/m0/s1