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

Systemtic Name: N-[4-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methylsulfamoyl]-3-methyl-phenyl]propanamide Openeye Name: N-[4-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methylsulfamoyl]-3-methyl-phenyl]propanamide CAS Name: N-[4-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methylsulfamoyl]-3-methylphenyl]propanamide IUPAC Name: N-[4-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methylsulfamoyl]-3-methylphenyl]propanamide Traditional Name: N-[4-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methylsulfamoyl]-3-methyl-phenyl]propionamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3)C

InChI

InChI=1S/C21H29N3O4S/c1-3-21(25)23-18-6-7-20(16(2)13-18)29(26,27)22-14-17-8-10-24(11-9-17)15-19-5-4-12-28-19/h4-7,12-13,17,22H,3,8-11,14-15H2,1-2H3,(H,23,25)/p+1