4-(2-cyanoethanoylamino)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide

Systemtic Name: 4-(2-cyanoethanoylamino)-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Openeye Name: 4-[(2-cyanoacetyl)amino]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide CAS Name: 4-[(2-cyano-1-oxoethyl)amino]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]benzamide IUPAC Name: 4-[(2-cyanoacetyl)amino]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Traditional Name: 4-[(2-cyanoacetyl)amino]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]benzamide Formula: C21H29N4O3+ MolecularWeight: 385.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)NC(=O)CC#N)[NH+]3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)C2=CC=C(C=C2)NC(=O)CC#N)[NH+]3CCOCC3

InChI

InChI=1S/C21H28N4O3/c22-11-8-19(26)24-18-6-4-17(5-7-18)20(27)23-16-21(9-2-1-3-10-21)25-12-14-28-15-13-25/h4-7H,1-3,8-10,12-16H2,(H,23,27)(H,24,26)/p+1