ethyl 1-(2,4-dimethylphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2,4-dimethylphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-carboxylate Openeye Name: ethyl 1-(2,4-dimethylphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)-5-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,4-dimethylphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)-5-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]pyrazole-4-carboxylic acid ethyl ester Formula: C24H31N5O2+2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)C)C)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=C(C=C(C=C2)C)C)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H29N5O2/c1-4-31-24(30)20-16-26-29(21-9-8-18(2)15-19(21)3)22(20)17-27-11-13-28(14-12-27)23-7-5-6-10-25-23/h5-10,15-16H,4,11-14,17H2,1-3H3/p+2