2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole

Systemtic Name: 2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]oxazole CAS Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyridin-4-yl-1-piperidin-1-iumyl)methyl]oxazole IUPAC Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-pyridin-4-ylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[[4-(4-pyridyl)piperidin-1-ium-1-yl]methyl]oxazole Formula: C22H23ClN3O3+ MolecularWeight: 412.88932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+]4CCC(CC4)C5=CC=NC=C5

Isomeric SMILES

CC1=C(N=C(O1)C2=CC3=C(C=C2Cl)OCO3)C[NH+]4CCC(CC4)C5=CC=NC=C5

InChI

InChI=1S/C22H22ClN3O3/c1-14-19(12-26-8-4-16(5-9-26)15-2-6-24-7-3-15)25-22(29-14)17-10-20-21(11-18(17)23)28-13-27-20/h2-3,6-7,10-11,16H,4-5,8-9,12-13H2,1H3/p+1