1-[(3,4-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-urea

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-3-phenylurea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-3-phenylurea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-1-veratryl-urea Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCC[NH+]2CCOCC2)C(=O)NC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCC[NH+]2CCOCC2)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C23H31N3O4/c1-28-21-10-9-19(17-22(21)29-2)18-26(12-6-11-25-13-15-30-16-14-25)23(27)24-20-7-4-3-5-8-20/h3-5,7-10,17H,6,11-16,18H2,1-2H3,(H,24,27)/p+1