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

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: (4-methoxycarbonylphenyl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: (4-methoxycarbonylphenyl)methyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: (4-methoxycarbonylphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C[NH2+]C2CCCC3=C2C=NN3C4=CC=CC=N4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C[NH2+][C@H]2CCCC3=C2C=NN3C4=CC=CC=N4

InChI

InChI=1S/C21H22N4O2/c1-27-21(26)16-10-8-15(9-11-16)13-23-18-5-4-6-19-17(18)14-24-25(19)20-7-2-3-12-22-20/h2-3,7-12,14,18,23H,4-6,13H2,1H3/p+1/t18-/m0/s1