2-(4-methoxyphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Openeye Name: 2-(4-methoxyphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide CAS Name: 2-(4-methoxyphenyl)-5-(1-methyl-2-pyrrolyl)-N-[2-(1-piperidin-1-iumyl)ethyl]-3-pyrazolecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Traditional Name: 2-(4-methoxyphenyl)-5-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ium-1-ylethyl)pyrazole-3-carboxamide Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC[NH+]3CCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C=CC=C1C2=NN(C(=C2)C(=O)NCC[NH+]3CCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H29N5O2/c1-26-13-6-7-21(26)20-17-22(23(29)24-12-16-27-14-4-3-5-15-27)28(25-20)18-8-10-19(30-2)11-9-18/h6-11,13,17H,3-5,12,14-16H2,1-2H3,(H,24,29)/p+1