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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[[1-(p-tolylmethyl)piperidin-1-ium-4-yl]methyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[1-[(4-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[[1-[(4-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[1-(4-methylbenzyl)piperidin-1-ium-4-yl]methyl]urea Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)CNC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)CNC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c1-16-2-4-18(5-3-16)14-25-10-8-17(9-11-25)13-23-22(26)24-19-6-7-20-21(12-19)28-15-27-20/h2-7,12,17H,8-11,13-15H2,1H3,(H2,23,24,26)/p+1