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

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-3-(p-tolylsulfonyl)propanamide CAS Name: 3-(4-methylphenyl)sulfonyl-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]-3-tosyl-propionamide Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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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+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C23H30N2O3S/c1-19-9-11-22(12-10-19)29(27,28)16-13-23(26)24-17-20-7-3-4-8-21(20)18-25-14-5-2-6-15-25/h3-4,7-12H,2,5-6,13-18H2,1H3,(H,24,26)/p+1