2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(phenylthio)propyl]acetamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O2S/c1-27-20-8-5-7-19(17-20)25-14-12-24(13-15-25)18-22(26)23-11-6-16-28-21-9-3-2-4-10-21/h2-5,7-10,17H,6,11-16,18H2,1H3,(H,23,26)/p+1