(2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one

Systemtic Name: (2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenyl)sulfanyl-propan-1-one Openeye Name: (2R)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(p-tolylsulfanyl)propan-1-one CAS Name: (2R)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-[(4-methylphenyl)thio]-1-propanone IUPAC Name: (2R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(4-methylphenyl)sulfanylpropan-1-one Traditional Name: (2R)-1-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-(p-tolylthio)propan-1-one Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H28N2O2S/c1-17-3-6-21(7-4-17)28-18(2)23(26)25-12-10-24(11-13-25)16-19-5-8-22-20(15-19)9-14-27-22/h3-8,15,18H,9-14,16H2,1-2H3/p+1/t18-/m1/s1