4-[(4-chlorophenyl)methyl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazine-1-carboxamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazine-1-carboxamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazine-1-carboxamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinecarboxamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]piperazine-1-carboxamide Traditional Name: 4-(4-chlorobenzyl)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazine-1-carboxamide Formula: C22H30ClN4O2+ MolecularWeight: 417.9522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C22H29ClN4O2/c23-19-7-5-18(6-8-19)17-25-11-13-27(14-12-25)22(28)24-16-20(21-4-3-15-29-21)26-9-1-2-10-26/h3-8,15,20H,1-2,9-14,16-17H2,(H,24,28)/p+1/t20-/m0/s1