2-[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoylamino]ethylazanium

Systemtic Name: 2-[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]propanoylamino]ethylazanium Openeye Name: 2-[3-[5-(azepan-1-yl)-2-oxo-1-pyridyl]propanoylamino]ethylammonium CAS Name: 2-[[3-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[3-[5-(azepan-1-yl)-2-oxopyridin-1-yl]propanoylamino]ethylazanium Traditional Name: 2-[3-[5-(azepan-1-yl)-2-keto-1-pyridyl]propanoylamino]ethylammonium Formula: C16H27N4O2+ MolecularWeight: 307.41118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCC(=O)NCC[NH3+]

Isomeric SMILES

C1CCCN(CC1)C2=CN(C(=O)C=C2)CCC(=O)NCC[NH3+]

InChI

InChI=1S/C16H26N4O2/c17-8-9-18-15(21)7-12-20-13-14(5-6-16(20)22)19-10-3-1-2-4-11-19/h5-6,13H,1-4,7-12,17H2,(H,18,21)/p+1