3-(3-methoxyphenyl)-1-(phenylmethyl)-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide

Systemtic Name: 3-(3-methoxyphenyl)-1-(phenylmethyl)-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(3-methoxyphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide CAS Name: 3-(3-methoxyphenyl)-1-(phenylmethyl)-N-[3-(1-piperidin-1-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(3-methoxyphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(3-methoxyphenyl)-N-(3-piperidin-1-ium-1-ylpropyl)pyrazole-4-carboxamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCCC[NH+]3CCCCC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)NCCC[NH+]3CCCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-32-23-13-8-12-22(18-23)25-24(20-30(28-25)19-21-10-4-2-5-11-21)26(31)27-14-9-17-29-15-6-3-7-16-29/h2,4-5,8,10-13,18,20H,3,6-7,9,14-17,19H2,1H3,(H,27,31)/p+1