3-[(phenylmethyl)carbamoylamino]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-[(phenylmethyl)carbamoylamino]-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(benzylcarbamoylamino)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[[oxo-[(phenylmethyl)amino]methyl]amino]-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(benzylcarbamoylamino)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(benzylcarbamoylamino)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C24H33N4O2+ MolecularWeight: 409.54442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCNC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCNC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O2/c29-23(13-14-25-24(30)27-17-20-9-3-1-4-10-20)26-18-21-11-5-6-12-22(21)19-28-15-7-2-8-16-28/h1,3-6,9-12H,2,7-8,13-19H2,(H,26,29)(H2,25,27,30)/p+1