N-[4-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methylsulfamoyl]-3-methyl-phenyl]propanamide

Systemtic Name: N-[4-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methylsulfamoyl]-3-methyl-phenyl]propanamide Openeye Name: N-[4-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methylsulfamoyl]-3-methyl-phenyl]propanamide CAS Name: N-[4-[[1-(2-methoxyethyl)-4-piperidin-1-iumyl]methylsulfamoyl]-3-methylphenyl]propanamide IUPAC Name: N-[4-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide Traditional Name: N-[4-[[1-(2-methoxyethyl)piperidin-1-ium-4-yl]methylsulfamoyl]-3-methyl-phenyl]propionamide Formula: C19H32N3O4S+ MolecularWeight: 398.54008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CCOC)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CCOC)C

InChI

InChI=1S/C19H31N3O4S/c1-4-19(23)21-17-5-6-18(15(2)13-17)27(24,25)20-14-16-7-9-22(10-8-16)11-12-26-3/h5-6,13,16,20H,4,7-12,14H2,1-3H3,(H,21,23)/p+1