4-(2-cyanoethanoylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(2-cyanoethanoylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-[(2-cyanoacetyl)amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-[(2-cyano-1-oxoethyl)amino]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-[(2-cyanoacetyl)amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-[(2-cyanoacetyl)amino]-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C23H26N4O2/c24-13-12-22(28)26-21-10-8-20(9-11-21)23(29)25-16-18-4-6-19(7-5-18)17-27-14-2-1-3-15-27/h4-11H,1-3,12,14-17H2,(H,25,29)(H,26,28)/p+1