4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-furylmethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(2-furanylmethyl)-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(2-furfuryl)piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C16H18N3O3S+ MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H17N3O3S/c17-12-14-3-5-16(6-4-14)23(20,21)19-9-7-18(8-10-19)13-15-2-1-11-22-15/h1-6,11H,7-10,13H2/p+1