2-[4-[1-[2-oxidanylidene-2-(propylamino)ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[1-[2-oxidanylidene-2-(propylamino)ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[1-[2-oxo-2-(propylamino)ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[1-[2-oxo-2-(propylamino)ethyl]-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[1-[2-oxo-2-(propylamino)ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[1-[2-keto-2-(propylamino)ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-N-propyl-acetamide Formula: C20H28N4O2+2 MolecularWeight: 356.46192

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(=O)NCCC

Isomeric SMILES

CCCNC(=O)C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(=O)NCCC

InChI

InChI=1S/C20H26N4O2/c1-3-9-21-19(25)15-23-11-5-17(6-12-23)18-7-13-24(14-8-18)16-20(26)22-10-4-2/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3/p+2