4-[2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-[4-(2-furfuryl)piperazin-4-ium-1-yl]-2-keto-ethoxy]benzonitrile Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H19N3O3/c19-12-15-3-5-16(6-4-15)24-14-18(22)21-9-7-20(8-10-21)13-17-2-1-11-23-17/h1-6,11H,7-10,13-14H2/p+1