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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(2-ketopyrrolidino)benzamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3/c25-20-6-3-13-24(20)17-9-7-16(8-10-17)21(26)22-15-18(19-5-4-14-27-19)23-11-1-2-12-23/h4-5,7-10,14,18H,1-3,6,11-13,15H2,(H,22,26)/p+1/t18-/m0/s1