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

Systemtic Name: 2-(6-chloranyl-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole Openeye Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]oxazole CAS Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-phenyl-1-piperidin-1-iumyl)methyl]oxazole IUPAC Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-1,3-oxazole Traditional Name: 2-(6-chloro-1,3-benzodioxol-5-yl)-5-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]oxazole Formula: C23H24ClN2O3+ MolecularWeight: 411.90126

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN2O3/c1-15-20(13-26-9-7-17(8-10-26)16-5-3-2-4-6-16)25-23(29-15)18-11-21-22(12-19(18)24)28-14-27-21/h2-6,11-12,17H,7-10,13-14H2,1H3/p+1