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

Systemtic Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-1-phenyl-pyrazole-3-carboxamide Openeye Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-1-phenyl-pyrazole-3-carboxamide CAS Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-2-(4-morpholin-4-iumyl)butyl]-1-phenyl-3-pyrazolecarboxamide IUPAC Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-ylbutyl]-1-phenylpyrazole-3-carboxamide Traditional Name: 4-(3,4-dimethoxyphenyl)-N-[(2S)-3-methyl-2-morpholin-4-ium-4-yl-butyl]-1-phenyl-pyrazole-3-carboxamide Formula: C27H35N4O4+ MolecularWeight: 479.5912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O4/c1-19(2)23(30-12-14-35-15-13-30)17-28-27(32)26-22(18-31(29-26)21-8-6-5-7-9-21)20-10-11-24(33-3)25(16-20)34-4/h5-11,16,18-19,23H,12-15,17H2,1-4H3,(H,28,32)/p+1/t23-/m1/s1