1-(2-bromophenyl)-3-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea Openeye Name: 1-(2-bromophenyl)-3-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea CAS Name: 1-(2-bromophenyl)-3-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]urea Traditional Name: 1-(2-bromophenyl)-3-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea Formula: C20H25BrN3O2+ MolecularWeight: 419.3354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)NC2=CC=CC=C2Br)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)NC2=CC=CC=C2Br)[NH+]3CCCC3

InChI

InChI=1S/C20H24BrN3O2/c1-26-16-8-6-7-15(13-16)19(24-11-4-5-12-24)14-22-20(25)23-18-10-3-2-9-17(18)21/h2-3,6-10,13,19H,4-5,11-12,14H2,1H3,(H2,22,23,25)/p+1/t19-/m0/s1