4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidin-1-ium-1-yl]methyl]benzonitrile Formula: C22H23N2O3+ MolecularWeight: 363.42962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1C[NH+](CCC1C(=O)C2=CC3=C(C=C2)OCCO3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H22N2O3/c23-14-16-1-3-17(4-2-16)15-24-9-7-18(8-10-24)22(25)19-5-6-20-21(13-19)27-12-11-26-20/h1-6,13,18H,7-12,15H2/p+1