pyridin-4-yl-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: pyridin-4-yl-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 4-pyridyl-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: pyridin-4-yl-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: pyridin-4-yl-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 4-pyridyl-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C18H19N4OS2+ MolecularWeight: 371.49966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3SC2=S)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3SC2=S)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C18H18N4OS2/c23-17(14-5-7-19-8-6-14)21-11-9-20(10-12-21)13-22-15-3-1-2-4-16(15)25-18(22)24/h1-8H,9-13H2/p+1