2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[3-(phenylthio)propyl]acetamide Formula: C24H33N3O2S+2 MolecularWeight: 427.60272

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC(=O)NCCCSC4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CC[NH+](CC3)CC(=O)NCCCSC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O2S/c28-24(25-10-4-16-30-22-5-2-1-3-6-22)19-27-13-11-26(12-14-27)18-20-7-8-23-21(17-20)9-15-29-23/h1-3,5-8,17H,4,9-16,18-19H2,(H,25,28)/p+2