4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylamino)-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-2-phenyl-4-(1-pyrrolin-1-ium-2-ylamino)-3-pyrazolin-3-one Formula: C15H19N4O+ MolecularWeight: 271.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[NH+]CCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=[NH+]CCC3

InChI

InChI=1S/C15H18N4O/c1-11-14(17-13-9-6-10-16-13)15(20)19(18(11)2)12-7-4-3-5-8-12/h3-5,7-8H,6,9-10H2,1-2H3,(H,16,17)/p+1