4-(furan-2-ylmethylamino)-1-methyl-piperidin-1-ium-4-carbonitrile

Systemtic Name: 4-(furan-2-ylmethylamino)-1-methyl-piperidin-1-ium-4-carbonitrile Openeye Name: 4-(2-furylmethylamino)-1-methyl-piperidin-1-ium-4-carbonitrile CAS Name: 4-(2-furanylmethylamino)-1-methyl-4-piperidin-1-iumcarbonitrile IUPAC Name: 4-(furan-2-ylmethylamino)-1-methylpiperidin-1-ium-4-carbonitrile Traditional Name: 4-(2-furfurylamino)-1-methyl-piperidin-1-ium-4-carbonitrile Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C#N)NCC2=CC=CO2

Isomeric SMILES

C[NH+]1CCC(CC1)(C#N)NCC2=CC=CO2

InChI

InChI=1S/C12H17N3O/c1-15-6-4-12(10-13,5-7-15)14-9-11-3-2-8-16-11/h2-3,8,14H,4-7,9H2,1H3/p+1