1-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-urea

Systemtic Name: 1-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-urea Openeye Name: 1-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-urea CAS Name: 1-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-phenylurea IUPAC Name: 1-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-phenylurea Traditional Name: 1-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-phenyl-urea Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)NC2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H](CNC(=O)NC2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C21H28N4O/c1-24(2)19-12-10-17(11-13-19)20(25-14-6-7-15-25)16-22-21(26)23-18-8-4-3-5-9-18/h3-5,8-13,20H,6-7,14-16H2,1-2H3,(H2,22,23,26)/p+1/t20-/m0/s1