(3R)-N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3R)-N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3R)-N-[2-(4-methoxyphenyl)phenyl]-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-carboxamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+](C3)CC4=CC=NN4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@@H]3CCC[NH+](C3)CC4=CC=NN4

InChI

InChI=1S/C23H26N4O2/c1-29-20-10-8-17(9-11-20)21-6-2-3-7-22(21)25-23(28)18-5-4-14-27(15-18)16-19-12-13-24-26-19/h2-3,6-13,18H,4-5,14-16H2,1H3,(H,24,26)(H,25,28)/p+1/t18-/m1/s1