[2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[4-[2-(dimethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-[4-[2-(dimethylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-[4-[2-(dimethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-[4-[2-(dimethylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl] ester Formula: C22H30N5O4+ MolecularWeight: 428.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N3CC[NH+](CC3)CC(=O)N(C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N3CC[NH+](CC3)CC(=O)N(C)C

InChI

InChI=1S/C22H29N5O4/c1-16-21(17(2)27(23-16)18-8-6-5-7-9-18)22(30)31-15-20(29)26-12-10-25(11-13-26)14-19(28)24(3)4/h5-9H,10-15H2,1-4H3/p+1