1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea

Systemtic Name: 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Openeye Name: 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea CAS Name: 1-(2,5-dimethoxyphenyl)-3-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]urea IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Traditional Name: 1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Formula: C20H26N3O3+ MolecularWeight: 356.43874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C20H25N3O3/c1-25-17-9-10-19(26-2)18(13-17)22-20(24)21-16-7-5-15(6-8-16)14-23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3,(H2,21,22,24)/p+1