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

Systemtic Name: 3-(4-methoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-methoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-methoxyphenyl)-N-[(2S)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-methoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-1-phenyl-pyrazole-4-carboxamide Formula: C26H33N4O3+ MolecularWeight: 449.56522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O3/c1-19(2)24(29-13-15-33-16-14-29)17-27-26(31)23-18-30(21-7-5-4-6-8-21)28-25(23)20-9-11-22(32-3)12-10-20/h4-12,18-19,24H,13-17H2,1-3H3,(H,27,31)/p+1/t24-/m1/s1