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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O2/c1-13(16(22)18-9-8-17)20-12-14(6-7-15(20)21)19-10-4-2-3-5-11-19/h6-7,12-13H,2-5,8-11,17H2,1H3,(H,18,22)/p+1/t13-/m1/s1