[(2S)-1-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridyl]amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-2-yl]amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-[[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridyl]amino]-2-keto-1-methyl-ethyl]ammonium Formula: C17H21N4O+ MolecularWeight: 297.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)N2CCC3=CC=CC=C3C2)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)N2CCC3=CC=CC=C3C2)[NH3+]

InChI

InChI=1S/C17H20N4O/c1-12(18)17(22)20-16-7-6-15(10-19-16)21-9-8-13-4-2-3-5-14(13)11-21/h2-7,10,12H,8-9,11,18H2,1H3,(H,19,20,22)/p+1/t12-/m0/s1