4-chloranyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-oxidanylidenepyrrolidin-1-yl)benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: 4-chloro-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide CAS Name: 4-chloro-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: 4-chloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: 4-chloro-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-(2-ketopyrrolidino)benzamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=C(C=C(C=C2)Cl)N3CCCC3=O)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=C(C=C(C=C2)Cl)N3CCCC3=O)C4=CC=CO4

InChI

InChI=1S/C21H24ClN3O3/c22-15-7-8-16(17(13-15)25-11-3-6-20(25)26)21(27)23-14-18(19-5-4-12-28-19)24-9-1-2-10-24/h4-5,7-8,12-13,18H,1-3,6,9-11,14H2,(H,23,27)/p+1/t18-/m0/s1