4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzamide

Systemtic Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzamide Openeye Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzamide CAS Name: 4-[[4-(1-benzothiophen-3-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzamide IUPAC Name: 4-[4-(1-benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzamide Traditional Name: 4-[4-(benzothiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzamide Formula: C20H22N3O3S2+ MolecularWeight: 416.53698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C20H21N3O3S2/c21-20(24)15-5-7-17(8-6-15)28(25,26)23-11-9-22(10-12-23)13-16-14-27-19-4-2-1-3-18(16)19/h1-8,14H,9-13H2,(H2,21,24)/p+1