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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N(C)CC2CCC[NH+](C2)CCC3=CC=CC=C3OC

Isomeric SMILES

CN1C(=CC=N1)C(=O)N(C)C[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3OC

InChI

InChI=1S/C21H30N4O2/c1-23(21(26)19-10-12-22-24(19)2)15-17-7-6-13-25(16-17)14-11-18-8-4-5-9-20(18)27-3/h4-5,8-10,12,17H,6-7,11,13-16H2,1-3H3/p+1/t17-/m1/s1