3-(4-morpholin-4-ylsulfonylphenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-morpholinosulfonylphenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-morpholin-4-ylsulfonylphenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-morpholinosulfonylphenyl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C26H36N3O4S+ MolecularWeight: 486.64674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C26H35N3O4S/c30-26(27-20-23-6-2-3-7-24(23)21-28-14-4-1-5-15-28)13-10-22-8-11-25(12-9-22)34(31,32)29-16-18-33-19-17-29/h2-3,6-9,11-12H,1,4-5,10,13-21H2,(H,27,30)/p+1