[(2S)-1-[[5-(3-methoxypropylamino)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[5-(3-methoxypropylamino)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[[5-(3-methoxypropylamino)-2-pyridyl]amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[5-(3-methoxypropylamino)-2-pyridinyl]amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[5-(3-methoxypropylamino)pyridin-2-yl]amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-2-[[5-(3-methoxypropylamino)-2-pyridyl]amino]-1-methyl-ethyl]ammonium Formula: C12H21N4O2+ MolecularWeight: 253.32074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O2/c1-9(13)12(17)16-11-5-4-10(8-15-11)14-6-3-7-18-2/h4-5,8-9,14H,3,6-7,13H2,1-2H3,(H,15,16,17)/p+1/t9-/m0/s1