1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]phenyl]propan-1-one

Systemtic Name: 1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]phenyl]propan-1-one Openeye Name: 1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]phenyl]propan-1-one CAS Name: 1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]phenyl]propan-1-one Traditional Name: 1-[4-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethoxy]phenyl]propan-1-one Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-2-20(27)17-7-9-18(10-8-17)29-16-23(28)26-13-11-25(12-14-26)15-22-24-19-5-3-4-6-21(19)30-22/h3-10H,2,11-16H2,1H3/p+1