[(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)amino] 2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: [(E)-(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)amino] 2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoate Openeye Name: [(E)-(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)amino] 2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]acetic acid [(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)amino] ester IUPAC Name: [(E)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)amino] 2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetic acid [(E)-(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)amino] ester Formula: C19H20N5O3+ MolecularWeight: 366.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NOC(=O)C[N+]2=CC=C(C=C2)N(C)C)C3=CC=CC=C3

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/OC(=O)C[N+]2=CC=C(C=C2)N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C19H20N5O3/c1-14-18(19(26)24(20-14)16-7-5-4-6-8-16)21-27-17(25)13-23-11-9-15(10-12-23)22(2)3/h4-12H,13H2,1-3H3/q+1/b21-18+