4-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-piperidin-1-ium-4-carbonitrile

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-piperidin-1-ium-4-carbonitrile Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-piperidin-1-ium-4-carbonitrile CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-4-piperidin-1-iumcarbonitrile IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-1-methylpiperidin-1-ium-4-carbonitrile Traditional Name: 1-methyl-4-(piperonylamino)piperidin-1-ium-4-carbonitrile Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)(C#N)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CCC(CC1)(C#N)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19N3O2/c1-18-6-4-15(10-16,5-7-18)17-9-12-2-3-13-14(8-12)20-11-19-13/h2-3,8,17H,4-7,9,11H2,1H3/p+1