1-(3,4-dimethoxyphenyl)-3-[4-(pyridin-1-ium-4-ylmethyl)phenyl]urea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[4-(pyridin-1-ium-4-ylmethyl)phenyl]urea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[4-(pyridin-1-ium-4-ylmethyl)phenyl]urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[4-(4-pyridin-1-iumylmethyl)phenyl]urea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[4-(pyridin-1-ium-4-ylmethyl)phenyl]urea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[4-(pyridin-1-ium-4-ylmethyl)phenyl]urea Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=[NH+]C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=[NH+]C=C3)OC

InChI

InChI=1S/C21H21N3O3/c1-26-19-8-7-18(14-20(19)27-2)24-21(25)23-17-5-3-15(4-6-17)13-16-9-11-22-12-10-16/h3-12,14H,13H2,1-2H3,(H2,23,24,25)/p+1