1-(3-ethanoylphenyl)-3-[6-[[4-[(4-fluorophenyl)methyl]-1-methyl-piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-yl]urea

Systemtic Name: 1-(3-ethanoylphenyl)-3-[6-[[4-[(4-fluorophenyl)methyl]-1-methyl-piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-yl]urea Openeye Name: 1-(3-acetylphenyl)-3-[6-[[4-[(4-fluorophenyl)methyl]-1-methyl-piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-yl]urea CAS Name: 1-(3-acetylphenyl)-3-[6-[[4-[(4-fluorophenyl)methyl]-1-methyl-1-piperidin-1-iumyl]methyl]-1,3-benzodioxol-5-yl]urea IUPAC Name: 1-(3-acetylphenyl)-3-[6-[[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-yl]urea Traditional Name: 1-(3-acetylphenyl)-3-[6-[[4-(4-fluorobenzyl)-1-methyl-piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-yl]urea Formula: C30H33FN3O4+ MolecularWeight: 518.599123

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2C[N+]4(CCC(CC4)CC5=CC=C(C=C5)F)C)OCO3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2C[N+]4(CCC(CC4)CC5=CC=C(C=C5)F)C)OCO3

InChI

InChI=1S/C30H32FN3O4/c1-20(35)23-4-3-5-26(15-23)32-30(36)33-27-17-29-28(37-19-38-29)16-24(27)18-34(2)12-10-22(11-13-34)14-21-6-8-25(31)9-7-21/h3-9,15-17,22H,10-14,18-19H2,1-2H3,(H-,32,33,36)/p+1