1-[6-(1,4-diazepan-4-ium-1-yl)-6-oxidanylidene-hexyl]pyridin-4-one

Systemtic Name: 1-[6-(1,4-diazepan-4-ium-1-yl)-6-oxidanylidene-hexyl]pyridin-4-one Openeye Name: 1-[6-(1,4-diazepan-4-ium-1-yl)-6-oxo-hexyl]pyridin-4-one CAS Name: 1-[6-(1,4-diazepan-4-ium-1-yl)-6-oxohexyl]-4-pyridinone IUPAC Name: 1-[6-(1,4-diazepan-4-ium-1-yl)-6-oxohexyl]pyridin-4-one Traditional Name: 1-[6-(1,4-diazepan-4-ium-1-yl)-6-keto-hexyl]-4-pyridone Formula: C16H26N3O2+ MolecularWeight: 292.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CCCCCN2C=CC(=O)C=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CCCCCN2C=CC(=O)C=C2

InChI

InChI=1S/C16H25N3O2/c20-15-6-12-18(13-7-15)10-3-1-2-5-16(21)19-11-4-8-17-9-14-19/h6-7,12-13,17H,1-5,8-11,14H2/p+1