1-pyrrolidin-1-yl-2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-pyrrolidin-1-yl-2-[4-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-pyrrolidin-1-yl-2-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[oxo(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 1-pyrrolidin-1-yl-2-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-pyrrolidino-2-[4-(4,5,6,7-tetrahydrobenzothiophene-3-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C19H28N3O2S+ MolecularWeight: 362.50952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C19H27N3O2S/c23-18(21-7-3-4-8-21)13-20-9-11-22(12-10-20)19(24)16-14-25-17-6-2-1-5-15(16)17/h14H,1-13H2/p+1