2-[[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-propanoyl]amino]ethylazanium

Systemtic Name: 2-[[3-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-propanoyl]amino]ethylazanium Openeye Name: 2-[[3-[5-(azepan-1-yl)-2-oxo-1-pyridyl]-2,2-dimethyl-propanoyl]amino]ethylammonium CAS Name: 2-[[3-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-2,2-dimethyl-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[[3-[5-(azepan-1-yl)-2-oxopyridin-1-yl]-2,2-dimethylpropanoyl]amino]ethylazanium Traditional Name: 2-[[3-[5-(azepan-1-yl)-2-keto-1-pyridyl]-2,2-dimethyl-propanoyl]amino]ethylammonium Formula: C18H31N4O2+ MolecularWeight: 335.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C=C(C=CC1=O)N2CCCCCC2)C(=O)NCC[NH3+]

Isomeric SMILES

CC(C)(CN1C=C(C=CC1=O)N2CCCCCC2)C(=O)NCC[NH3+]

InChI

InChI=1S/C18H30N4O2/c1-18(2,17(24)20-10-9-19)14-22-13-15(7-8-16(22)23)21-11-5-3-4-6-12-21/h7-8,13H,3-6,9-12,14,19H2,1-2H3,(H,20,24)/p+1