(2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-propanenitrile Openeye Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-2-methyl-3-(4-piperonylpiperazin-4-ium-1-yl)propionitrile Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C#N

Isomeric SMILES

C[C@H](CN1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3)C#N

InChI

InChI=1S/C16H21N3O2/c1-13(9-17)10-18-4-6-19(7-5-18)11-14-2-3-15-16(8-14)21-12-20-15/h2-3,8,13H,4-7,10-12H2,1H3/p+1/t13-/m0/s1