N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-2-yl-ethanamide

Systemtic Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-2-yl-ethanamide Openeye Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-(2-pyridyl)acetamide CAS Name: N-[[2-(1-azocanyl)-3-pyridin-1-iumyl]methyl]-2-(2-pyridinyl)acetamide IUPAC Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-pyridin-2-ylacetamide Traditional Name: N-[[2-(azocan-1-yl)pyridin-1-ium-3-yl]methyl]-2-(2-pyridyl)acetamide Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CC=CC=N3

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=CC=[NH+]2)CNC(=O)CC3=CC=CC=N3

InChI

InChI=1S/C20H26N4O/c25-19(15-18-10-4-5-11-21-18)23-16-17-9-8-12-22-20(17)24-13-6-2-1-3-7-14-24/h4-5,8-12H,1-3,6-7,13-16H2,(H,23,25)/p+1