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

Systemtic Name: N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-propan-2-yl-pyrazole-4-carboxamide Openeye Name: 1-isopropyl-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-pyrazole-4-carboxamide CAS Name: N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-1-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-1-propan-2-ylpyrazole-4-carboxamide Traditional Name: 1-isopropyl-N-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-pyrazole-4-carboxamide Formula: C23H35N4O2+ MolecularWeight: 399.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C(=O)N(C)CC2CCC[NH+](C2)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)N1C=C(C=N1)C(=O)N(C)C[C@H]2CCC[NH+](C2)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H34N4O2/c1-18(2)27-17-21(14-24-27)23(28)25(3)15-20-6-5-12-26(16-20)13-11-19-7-9-22(29-4)10-8-19/h7-10,14,17-18,20H,5-6,11-13,15-16H2,1-4H3/p+1/t20-/m1/s1