(2S)-2-[3-(4-methylphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]propanamide

Systemtic Name: (2S)-2-[3-(4-methylphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]propanamide Openeye Name: (2S)-2-[3-(4-methylbenzoyl)-1-oxido-indazol-1-ium-2-yl]propanamide CAS Name: (2S)-2-[3-[(4-methylphenyl)-oxomethyl]-1-oxido-2-indazol-1-iumyl]propanamide IUPAC Name: (2S)-2-[3-(4-methylbenzoyl)-1-oxidoindazol-1-ium-2-yl]propanamide Traditional Name: (2S)-2-(1-oxido-3-p-toluoyl-indazol-1-ium-2-yl)propionamide Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=[N+](N2C(C)C(=O)N)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=[N+](N2[C@@H](C)C(=O)N)[O-]

InChI

InChI=1S/C18H17N3O3/c1-11-7-9-13(10-8-11)17(22)16-14-5-3-4-6-15(14)21(24)20(16)12(2)18(19)23/h3-10,12H,1-2H3,(H2,19,23)/t12-/m0/s1