N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-1-(3-methylphenyl)methanesulfonamide

Systemtic Name: N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-1-(3-methylphenyl)methanesulfonamide Openeye Name: N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-1-(m-tolyl)methanesulfonamide CAS Name: N-[3-[(3R,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propyl]-1-(3-methylphenyl)methanesulfonamide IUPAC Name: N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-1-(3-methylphenyl)methanesulfonamide Traditional Name: N-[3-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propyl]-1-(m-tolyl)methanesulfonamide Formula: C18H31N2O2S+ MolecularWeight: 339.51594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCNS(=O)(=O)CC2=CC=CC(=C2)C)C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)CCCNS(=O)(=O)CC2=CC=CC(=C2)C)C

InChI

InChI=1S/C18H30N2O2S/c1-15-6-4-7-18(11-15)14-23(21,22)19-8-5-9-20-12-16(2)10-17(3)13-20/h4,6-7,11,16-17,19H,5,8-10,12-14H2,1-3H3/p+1/t16-,17+