[(2S)-1-[[5-(azepan-1-yl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[5-(azepan-1-yl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[[5-(azepan-1-yl)-2-pyridyl]amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[5-(1-azepanyl)-2-pyridinyl]amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[5-(azepan-1-yl)pyridin-2-yl]amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[[5-(azepan-1-yl)-2-pyridyl]amino]-2-keto-1-methyl-ethyl]ammonium Formula: C14H23N4O+ MolecularWeight: 263.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)N2CCCCCC2)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)N2CCCCCC2)[NH3+]

InChI

InChI=1S/C14H22N4O/c1-11(15)14(19)17-13-7-6-12(10-16-13)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9,15H2,1H3,(H,16,17,19)/p+1/t11-/m0/s1