(4-azanyl-1-pyridin-2-ylcarbonyl-azepan-1-ium-1-yl)-pyridin-2-yl-methanone

Systemtic Name: (4-azanyl-1-pyridin-2-ylcarbonyl-azepan-1-ium-1-yl)-pyridin-2-yl-methanone Openeye Name: [4-amino-1-(pyridine-2-carbonyl)azepan-1-ium-1-yl]-(2-pyridyl)methanone CAS Name: [4-amino-1-[oxo(2-pyridinyl)methyl]-1-azepan-1-iumyl]-(2-pyridinyl)methanone IUPAC Name: [4-amino-1-(pyridine-2-carbonyl)azepan-1-ium-1-yl]-pyridin-2-ylmethanone Traditional Name: (4-amino-1-picolinoyl-azepan-1-ium-1-yl)-(2-pyridyl)methanone Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[N+](C1)(C(=O)C2=CC=CC=N2)C(=O)C3=CC=CC=N3)N

Isomeric SMILES

C1CC(CC[N+](C1)(C(=O)C2=CC=CC=N2)C(=O)C3=CC=CC=N3)N

InChI

InChI=1S/C18H21N4O2/c19-14-6-5-12-22(13-9-14,17(23)15-7-1-3-10-20-15)18(24)16-8-2-4-11-21-16/h1-4,7-8,10-11,14H,5-6,9,12-13,19H2/q+1