4-(5-methylpyrazol-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-(5-methylpyrazol-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Openeye Name: 4-(5-methylpyrazol-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide CAS Name: 4-(5-methyl-1-pyrazolyl)-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-(5-methylpyrazol-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Traditional Name: 4-(5-methylpyrazol-1-yl)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2/c1-18-9-12-24-26(18)20-7-5-19(6-8-20)21(27)23-17-22(10-3-2-4-11-22)25-13-15-28-16-14-25/h5-9,12H,2-4,10-11,13-17H2,1H3,(H,23,27)/p+1