1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-thienyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(3-thienyl)ethanone Formula: C18H20N3OS2+ MolecularWeight: 358.5009

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CC4=CSC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CC4=CSC=C4

InChI

InChI=1S/C18H19N3OS2/c22-18(11-14-5-10-23-13-14)21-8-6-20(7-9-21)12-17-19-15-3-1-2-4-16(15)24-17/h1-5,10,13H,6-9,11-12H2/p+1