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

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-(2-oxo-1-pyrrolidinyl)benzamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-(2-ketopyrrolidino)benzamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)N3CCCC3=O)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC=C(C=C2)N3CCCC3=O)C4=CC=CO4

InChI

InChI=1S/C22H27N3O3/c26-21-7-4-14-25(21)18-10-8-17(9-11-18)22(27)23-16-19(20-6-5-15-28-20)24-12-2-1-3-13-24/h5-6,8-11,15,19H,1-4,7,12-14,16H2,(H,23,27)/p+1/t19-/m0/s1