N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-1-(4-methylphenyl)methanesulfonamide

Systemtic Name: N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-1-(4-methylphenyl)methanesulfonamide Openeye Name: N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-1-(p-tolyl)methanesulfonamide CAS Name: N-[3-[(2S)-2-ethyl-1-piperidin-1-iumyl]propyl]-1-(4-methylphenyl)methanesulfonamide IUPAC Name: N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-1-(4-methylphenyl)methanesulfonamide Traditional Name: N-[3-[(2S)-2-ethylpiperidin-1-ium-1-yl]propyl]-1-(p-tolyl)methanesulfonamide Formula: C18H31N2O2S+ MolecularWeight: 339.51594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCCNS(=O)(=O)CC2=CC=C(C=C2)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CCCNS(=O)(=O)CC2=CC=C(C=C2)C

InChI

InChI=1S/C18H30N2O2S/c1-3-18-7-4-5-13-20(18)14-6-12-19-23(21,22)15-17-10-8-16(2)9-11-17/h8-11,18-19H,3-7,12-15H2,1-2H3/p+1/t18-/m0/s1