N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-3-phenyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-3-phenyl-pyrazole-4-carboxamide CAS Name: N-[(2R)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-3-phenyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[(2R)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-3-phenylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[(2R)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-3-phenyl-pyrazole-4-carboxamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

CC(C)[C@H](CNC(=O)C1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C26H32N4O2/c1-20(2)24(29-13-15-32-16-14-29)17-27-26(31)23-19-30(18-21-9-5-3-6-10-21)28-25(23)22-11-7-4-8-12-22/h3-12,19-20,24H,13-18H2,1-2H3,(H,27,31)/p+1/t24-/m0/s1