2-(azepan-1-ium-1-yl)-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[4-(2-ketopyrrolidino)phenyl]acetamide Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)N3CCCC3=O

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)N3CCCC3=O

InChI

InChI=1S/C18H25N3O2/c22-17(14-20-11-3-1-2-4-12-20)19-15-7-9-16(10-8-15)21-13-5-6-18(21)23/h7-10H,1-6,11-14H2,(H,19,22)/p+1