1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea Formula: C22H28N3O4+ MolecularWeight: 398.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)NC2=CC3=C(C=C2)OCO3)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)NC2=CC3=C(C=C2)OCO3)[NH+]4CCCCC4

InChI

InChI=1S/C22H27N3O4/c1-27-18-8-5-16(6-9-18)19(25-11-3-2-4-12-25)14-23-22(26)24-17-7-10-20-21(13-17)29-15-28-20/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H2,23,24,26)/p+1/t19-/m0/s1