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

Systemtic Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: (7-methoxy-1,3-benzodioxol-5-yl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH2+]C3CCCC4=C3C=NN4C5=CC=CC=N5

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH2+][C@H]3CCCC4=C3C=NN4C5=CC=CC=N5

InChI

InChI=1S/C21H22N4O3/c1-26-18-9-14(10-19-21(18)28-13-27-19)11-23-16-5-4-6-17-15(16)12-24-25(17)20-7-2-3-8-22-20/h2-3,7-10,12,16,23H,4-6,11,13H2,1H3/p+1/t16-/m0/s1