N-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]pyrazole-3-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-[(1-methyl-4-piperidin-1-iumyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-methyl-N-[(1-methylpiperidin-1-ium-4-yl)methyl]pyrazole-3-carboxamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)C(=O)C3=CC=NN3C

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)C(=O)C3=CC=NN3C

InChI

InChI=1S/C21H30N4O2/c1-23-13-9-18(10-14-23)16-25(21(26)20-8-12-22-24(20)2)15-11-17-4-6-19(27-3)7-5-17/h4-8,12,18H,9-11,13-16H2,1-3H3/p+1