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

Systemtic Name: (3-ethanoylphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: (3-acetylphenyl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: (3-acetylphenyl)methyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: (3-acetylphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: (3-acetylbenzyl)-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C21H23N4O+ MolecularWeight: 347.43352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O/c1-15(26)17-7-4-6-16(12-17)13-23-19-8-5-9-20-18(19)14-24-25(20)21-10-2-3-11-22-21/h2-4,6-7,10-12,14,19,23H,5,8-9,13H2,1H3/p+1/t19-/m0/s1