2-[4-(4-phenylsulfanylbutanoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(4-phenylsulfanylbutanoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(4-phenylsulfanylbutanoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[1-oxo-4-(phenylthio)butyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(4-phenylsulfanylbutanoyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-[4-(phenylthio)butanoyl]piperazino]pyridin-1-ium-3-carbonitrile Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)C(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS/c21-16-17-6-4-10-22-20(17)24-13-11-23(12-14-24)19(25)9-5-15-26-18-7-2-1-3-8-18/h1-4,6-8,10H,5,9,11-15H2/p+1