4-(3,5-dimethylpyrazol-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Openeye Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide CAS Name: 4-(3,5-dimethyl-1-pyrazolyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Traditional Name: 4-(3,5-dimethylpyrazol-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Formula: C23H33N4O2+ MolecularWeight: 397.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)NCC3(CCCCC3)[NH+]4CCOCC4)C

InChI

InChI=1S/C23H32N4O2/c1-18-16-19(2)27(25-18)21-8-6-20(7-9-21)22(28)24-17-23(10-4-3-5-11-23)26-12-14-29-15-13-26/h6-9,16H,3-5,10-15,17H2,1-2H3,(H,24,28)/p+1