3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile

Systemtic Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile Openeye Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile CAS Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]propanenitrile IUPAC Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile Traditional Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]propionitrile Formula: C15H20N4S+2 MolecularWeight: 288.4111

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC#N)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC#N)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H18N4S/c16-6-3-7-18-8-10-19(11-9-18)12-15-17-13-4-1-2-5-14(13)20-15/h1-2,4-5H,3,7-12H2/p+2