N-[4-(5-azanyl-3,4-dihydropyrazol-1-ium-2-yl)-2-methyl-phenyl]ethanamide

Systemtic Name: N-[4-(5-azanyl-3,4-dihydropyrazol-1-ium-2-yl)-2-methyl-phenyl]ethanamide Openeye Name: N-[4-(5-amino-3,4-dihydropyrazol-1-ium-2-yl)-2-methyl-phenyl]acetamide CAS Name: N-[4-(5-amino-3,4-dihydropyrazol-1-ium-2-yl)-2-methylphenyl]acetamide IUPAC Name: N-[4-(5-amino-3,4-dihydropyrazol-1-ium-2-yl)-2-methylphenyl]acetamide Traditional Name: N-[4-(3-amino-2-pyrazolin-2-ium-1-yl)-2-methyl-phenyl]acetamide Formula: C12H17N4O+ MolecularWeight: 233.28958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCC(=[NH+]2)N)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCC(=[NH+]2)N)NC(=O)C

InChI

InChI=1S/C12H16N4O/c1-8-7-10(16-6-5-12(13)15-16)3-4-11(8)14-9(2)17/h3-4,7H,5-6H2,1-2H3,(H2,13,15)(H,14,17)/p+1