2-(4-methoxyphenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]ethanamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]ethanamide Openeye Name: 2-(4-methoxyphenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]acetamide CAS Name: 2-(4-methoxyphenyl)-N-[[(3R)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methyl]acetamide IUPAC Name: 2-(4-methoxyphenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]acetamide Traditional Name: 2-(4-methoxyphenyl)-N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]acetamide Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NCC2CCC[NH+](C2)CCCN3C=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC[C@H]2CCC[NH+](C2)CCCN3C=CC=N3

InChI

InChI=1S/C21H30N4O2/c1-27-20-8-6-18(7-9-20)15-21(26)22-16-19-5-2-11-24(17-19)12-4-14-25-13-3-10-23-25/h3,6-10,13,19H,2,4-5,11-12,14-17H2,1H3,(H,22,26)/p+1/t19-/m1/s1