4-methyl-N-[(2R)-2-phenyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[(2R)-2-phenyl-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-phenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[(2R)-2-phenyl-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]benzenesulfonamide IUPAC Name: N-[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-phenylethyl]-4-methylbenzenesulfonamide Traditional Name: N-[(2R)-2-(4-benzylpiperidin-1-ium-1-yl)-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Formula: C27H33N2O2S+ MolecularWeight: 449.62812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(C2=CC=CC=C2)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CC=CC=C2)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H32N2O2S/c1-22-12-14-26(15-13-22)32(30,31)28-21-27(25-10-6-3-7-11-25)29-18-16-24(17-19-29)20-23-8-4-2-5-9-23/h2-15,24,27-28H,16-21H2,1H3/p+1/t27-/m0/s1