2-[[2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-2-methyl-propanoyl]amino]ethylazanium

Systemtic Name: 2-[[2-[5-(azepan-1-yl)-2-oxidanylidene-pyridin-1-yl]-2-methyl-propanoyl]amino]ethylazanium Openeye Name: 2-[[2-[5-(azepan-1-yl)-2-oxo-1-pyridyl]-2-methyl-propanoyl]amino]ethylammonium CAS Name: 2-[[2-[5-(1-azepanyl)-2-oxo-1-pyridinyl]-2-methyl-1-oxopropyl]amino]ethylammonium IUPAC Name: 2-[[2-[5-(azepan-1-yl)-2-oxopyridin-1-yl]-2-methylpropanoyl]amino]ethylazanium Traditional Name: 2-[[2-[5-(azepan-1-yl)-2-keto-1-pyridyl]-2-methyl-propanoyl]amino]ethylammonium Formula: C17H29N4O2+ MolecularWeight: 321.43776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCC[NH3+])N1C=C(C=CC1=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C(=O)NCC[NH3+])N1C=C(C=CC1=O)N2CCCCCC2

InChI

InChI=1S/C17H28N4O2/c1-17(2,16(23)19-10-9-18)21-13-14(7-8-15(21)22)20-11-5-3-4-6-12-20/h7-8,13H,3-6,9-12,18H2,1-2H3,(H,19,23)/p+1