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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]pyrazole-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]pyrazole-4-carboxamide Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CN(N=C2)CC3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C24H28N4O3/c1-30-22-9-7-20(8-10-22)23(27-11-13-31-14-12-27)16-25-24(29)21-15-26-28(18-21)17-19-5-3-2-4-6-19/h2-10,15,18,23H,11-14,16-17H2,1H3,(H,25,29)/p+1/t23-/m0/s1