N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[(4S)-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=C[N+](=CC=C4)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C3=C(C=N2)[C@H](CCC3)NC(=O)C4=C[N+](=CC=C4)[O-])C

InChI

InChI=1S/C21H22N4O2/c1-14-6-3-9-19(15(14)2)25-20-10-4-8-18(17(20)12-22-25)23-21(26)16-7-5-11-24(27)13-16/h3,5-7,9,11-13,18H,4,8,10H2,1-2H3,(H,23,26)/t18-/m0/s1