(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile

Systemtic Name: (2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethanenitrile Openeye Name: (2R)-2-(5-methyl-2-furyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile CAS Name: (2R)-2-(5-methyl-2-furanyl)-2-(4-methyl-1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Traditional Name: (2R)-2-(5-methyl-2-furyl)-2-(4-methylpiperazin-4-ium-1-yl)acetonitrile Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C#N)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(O1)[C@@H](C#N)N2CC[NH+](CC2)C

InChI

InChI=1S/C12H17N3O/c1-10-3-4-12(16-10)11(9-13)15-7-5-14(2)6-8-15/h3-4,11H,5-8H2,1-2H3/p+1/t11-/m1/s1