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

Systemtic Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea Openeye Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea CAS Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]urea Traditional Name: 1-(4-chlorophenyl)-3-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea Formula: C21H28ClN4O+ MolecularWeight: 387.92622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O/c1-25(2)19-11-5-16(6-12-19)20(26-13-3-4-14-26)15-23-21(27)24-18-9-7-17(22)8-10-18/h5-12,20H,3-4,13-15H2,1-2H3,(H2,23,24,27)/p+1/t20-/m0/s1