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

Systemtic Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]benzenecarbonitrile Openeye Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]benzonitrile CAS Name: 2-[3-[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]propoxy]benzonitrile IUPAC Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]benzonitrile Traditional Name: 2-[3-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]propoxy]benzonitrile Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCOC2=CC=CC=C2C#N)C3=NSC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCCOC2=CC=CC=C2C#N)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C21H22N4OS/c22-16-17-6-1-3-8-19(17)26-15-5-10-24-11-13-25(14-12-24)21-18-7-2-4-9-20(18)27-23-21/h1-4,6-9H,5,10-15H2/p+1