1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea

Systemtic Name: 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea Openeye Name: 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea CAS Name: 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(4-chlorophenyl)methyl]-3-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]urea Traditional Name: 1-(4-chlorobenzyl)-3-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea Formula: C18H23ClN3O2+ MolecularWeight: 348.84712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CO3

InChI

InChI=1S/C18H22ClN3O2/c19-15-7-5-14(6-8-15)12-20-18(23)21-13-16(17-4-3-11-24-17)22-9-1-2-10-22/h3-8,11,16H,1-2,9-10,12-13H2,(H2,20,21,23)/p+1/t16-/m0/s1