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

Systemtic Name: 3-[3-(4-methylphenyl)carbonyl-1-oxidanidyl-indazol-1-ium-2-yl]propanamide Openeye Name: 3-[3-(4-methylbenzoyl)-1-oxido-indazol-1-ium-2-yl]propanamide CAS Name: 3-[3-[(4-methylphenyl)-oxomethyl]-1-oxido-2-indazol-1-iumyl]propanamide IUPAC Name: 3-[3-(4-methylbenzoyl)-1-oxidoindazol-1-ium-2-yl]propanamide Traditional Name: 3-(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+](N2CCC(=O)N)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C3C=CC=CC3=[N+](N2CCC(=O)N)[O-]

InChI

InChI=1S/C18H17N3O3/c1-12-6-8-13(9-7-12)18(23)17-14-4-2-3-5-15(14)21(24)20(17)11-10-16(19)22/h2-9H,10-11H2,1H3,(H2,19,22)