4-(1,3-dithiolan-2-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]benzamide

Systemtic Name: 4-(1,3-dithiolan-2-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]benzamide Openeye Name: 4-(1,3-dithiolan-2-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]benzamide CAS Name: 4-(1,3-dithiolan-2-yl)-N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]benzamide IUPAC Name: 4-(1,3-dithiolan-2-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]benzamide Traditional Name: 4-(1,3-dithiolan-2-yl)-N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]benzamide Formula: C24H32N3O2S2+ MolecularWeight: 458.65978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)C3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC(=O)C3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C24H31N3O2S2/c1-29-22-9-7-21(8-10-22)27-15-13-26(14-16-27)12-2-11-25-23(28)19-3-5-20(6-4-19)24-30-17-18-31-24/h3-10,24H,2,11-18H2,1H3,(H,25,28)/p+1