2-[4-(2-piperidin-1-ium-1-ylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2-piperidin-1-ium-1-ylethanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2-piperidin-1-ium-1-ylacetyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2-piperidin-1-ium-1-ylacetyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(2-piperidin-1-ium-1-ylacetyl)piperazino]sulfonylbenzonitrile Formula: C18H25N4O3S+ MolecularWeight: 377.4811

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C18H24N4O3S/c19-14-16-6-2-3-7-17(16)26(24,25)22-12-10-21(11-13-22)18(23)15-20-8-4-1-5-9-20/h2-3,6-7H,1,4-5,8-13,15H2/p+1