2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]benzonitrile CAS Name: 2-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]ethoxy]benzonitrile IUPAC Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]benzonitrile Traditional Name: 2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]ethoxy]benzonitrile Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2C#N)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2C#N)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C20H20N4OS/c21-15-16-5-1-3-7-18(16)25-14-13-23-9-11-24(12-10-23)20-17-6-2-4-8-19(17)26-22-20/h1-8H,9-14H2/p+1