3-[[4-(1,3-benzodioxol-4-yl)-1-ethenyl-piperidin-1-ium-1-yl]methyl]-2-methoxy-pyridine

Systemtic Name: 3-[[4-(1,3-benzodioxol-4-yl)-1-ethenyl-piperidin-1-ium-1-yl]methyl]-2-methoxy-pyridine Openeye Name: 3-[[4-(1,3-benzodioxol-4-yl)-1-vinyl-piperidin-1-ium-1-yl]methyl]-2-methoxy-pyridine CAS Name: 3-[[4-(1,3-benzodioxol-4-yl)-1-ethenyl-1-piperidin-1-iumyl]methyl]-2-methoxypyridine IUPAC Name: 3-[[4-(1,3-benzodioxol-4-yl)-1-ethenylpiperidin-1-ium-1-yl]methyl]-2-methoxypyridine Traditional Name: 3-[[4-(1,3-benzodioxol-4-yl)-1-vinyl-piperidin-1-ium-1-yl]methyl]-2-methoxy-pyridine Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)C[N+]2(CCC(CC2)C3=C4C(=CC=C3)OCO4)C=C

Isomeric SMILES

COC1=C(C=CC=N1)C[N+]2(CCC(CC2)C3=C4C(=CC=C3)OCO4)C=C

InChI

InChI=1S/C21H25N2O3/c1-3-23(14-17-6-5-11-22-21(17)24-2)12-9-16(10-13-23)18-7-4-8-19-20(18)26-15-25-19/h3-8,11,16H,1,9-10,12-15H2,2H3/q+1