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

Systemtic Name: [(2S)-1-[[5-(1,3-benzodioxol-5-ylmethylamino)pyridin-2-yl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-[[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridyl]amino]-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-[[5-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]amino]-1-oxopropan-2-yl]ammonium IUPAC Name: [(2S)-1-[[5-(1,3-benzodioxol-5-ylmethylamino)pyridin-2-yl]amino]-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-[[5-(piperonylamino)-2-pyridyl]amino]ethyl]ammonium Formula: C16H19N4O3+ MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)NCC2=CC3=C(C=C2)OCO3)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)NCC2=CC3=C(C=C2)OCO3)[NH3+]

InChI

InChI=1S/C16H18N4O3/c1-10(17)16(21)20-15-5-3-12(8-19-15)18-7-11-2-4-13-14(6-11)23-9-22-13/h2-6,8,10,18H,7,9,17H2,1H3,(H,19,20,21)/p+1/t10-/m0/s1