3-(4-methylphenyl)sulfonyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]propanamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-3-tosyl-propionamide Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C22H28N2O4S/c1-18-6-8-21(9-7-18)29(26,27)15-10-22(25)23-16-19-4-2-3-5-20(19)17-24-11-13-28-14-12-24/h2-9H,10-17H2,1H3,(H,23,25)/p+1