N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-pyridin-3-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-(3-pyridyl)pyrazole-4-carboxamide Formula: C29H32N5O3+ MolecularWeight: 498.59608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)[NH+]5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)[NH+]5CCOCC5

InChI

InChI=1S/C29H31N5O3/c1-36-25-11-9-23(10-12-25)27(33-14-16-37-17-15-33)19-31-29(35)26-21-34(20-22-6-3-2-4-7-22)32-28(26)24-8-5-13-30-18-24/h2-13,18,21,27H,14-17,19-20H2,1H3,(H,31,35)/p+1/t27-/m0/s1