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

Systemtic Name: (4-acetamidophenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH2+]C2CCCC3=C2C=NN3C4=CC=CC=N4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH2+][C@H]2CCCC3=C2C=NN3C4=CC=CC=N4

InChI

InChI=1S/C21H23N5O/c1-15(27)25-17-10-8-16(9-11-17)13-23-19-5-4-6-20-18(19)14-24-26(20)21-7-2-3-12-22-21/h2-3,7-12,14,19,23H,4-6,13H2,1H3,(H,25,27)/p+1/t19-/m0/s1