5-(4-methoxyphenyl)-2-methyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrazole-3-carboxamide

Systemtic Name: 5-(4-methoxyphenyl)-2-methyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrazole-3-carboxamide Openeye Name: 5-(4-methoxyphenyl)-2-methyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrazole-3-carboxamide CAS Name: 5-(4-methoxyphenyl)-2-methyl-N-[(3S)-1-methyl-3-piperidin-1-iumyl]-3-pyrazolecarboxamide IUPAC Name: 5-(4-methoxyphenyl)-2-methyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrazole-3-carboxamide Traditional Name: 5-(4-methoxyphenyl)-2-methyl-N-[(3S)-1-methylpiperidin-1-ium-3-yl]pyrazole-3-carboxamide Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)NC(=O)C2=CC(=NN2C)C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)NC(=O)C2=CC(=NN2C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H24N4O2/c1-21-10-4-5-14(12-21)19-18(23)17-11-16(20-22(17)2)13-6-8-15(24-3)9-7-13/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,19,23)/p+1/t14-/m0/s1