N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-4-(2-oxidanylidenepyrrolidin-1-yl)butanamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-4-(2-oxidanylidenepyrrolidin-1-yl)butanamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)butanamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-4-(2-oxo-1-pyrrolidinyl)butanamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-4-(2-oxopyrrolidin-1-yl)butanamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-4-(2-ketopyrrolidino)butyramide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)CCCN3CCCC3=O

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)CCCN3CCCC3=O

InChI

InChI=1S/C21H32N4O2/c26-19(10-7-15-24-16-8-11-20(24)27)23-17-18-9-6-12-22-21(18)25-13-4-2-1-3-5-14-25/h6,9,12H,1-5,7-8,10-11,13-17H2,(H,23,26)/p+1