2-[4-[2-(azocan-1-ium-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(azocan-1-ium-1-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(1-azocan-1-iumyl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C20H29N4O3S+ MolecularWeight: 405.53426

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CCC[NH+](CCC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H28N4O3S/c21-16-18-8-4-5-9-19(18)28(26,27)24-14-12-23(13-15-24)20(25)17-22-10-6-2-1-3-7-11-22/h4-5,8-9H,1-3,6-7,10-15,17H2/p+1