3-(cyclohexylcarbamoylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(cyclohexylcarbamoylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(cyclohexylcarbamoylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[[(cyclohexylamino)-oxomethyl]amino]-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(cyclohexylcarbamoylamino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(cyclohexylcarbamoylamino)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C23H37N4O2+ MolecularWeight: 401.56548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H36N4O2/c28-22(13-14-24-23(29)26-21-7-3-1-4-8-21)25-17-19-9-11-20(12-10-19)18-27-15-5-2-6-16-27/h9-12,21H,1-8,13-18H2,(H,25,28)(H2,24,26,29)/p+1