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

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazine-1,4-diiumyl]propanenitrile IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]propanenitrile Traditional Name: (2R)-2-[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:

CC(C#N)[NH+]1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C#N)[NH+]1CC[NH+](CC1)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H18N4S/c1-12(10-16)19-8-6-18(7-9-19)11-15-17-13-4-2-3-5-14(13)20-15/h2-5,12H,6-9,11H2,1H3/p+2/t12-/m1/s1