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

Systemtic Name: 1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Openeye Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea CAS Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]urea IUPAC Name: 1-(5-chloro-2,4-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Traditional Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-3-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]urea Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)NC2=CC=C(C=C2)C[NH+]3CCCC3)Cl)OC

InChI

InChI=1S/C20H24ClN3O3/c1-26-18-12-19(27-2)17(11-16(18)21)23-20(25)22-15-7-5-14(6-8-15)13-24-9-3-4-10-24/h5-8,11-12H,3-4,9-10,13H2,1-2H3,(H2,22,23,25)/p+1