2,5-bis(4-methoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 2,5-bis(4-methoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2,5-bis(4-methoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2,5-bis(4-methoxyphenyl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-bis(4-methoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2,5-bis(4-methoxyphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NCC[NH+]3CCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)C(=O)NCC[NH+]3CCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C24H28N4O3/c1-30-20-9-5-18(6-10-20)22-17-23(24(29)25-13-16-27-14-3-4-15-27)28(26-22)19-7-11-21(31-2)12-8-19/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,29)/p+1