[4-oxidanylidene-4-[[6-[[(2S)-2-oxidanylpropyl]amino]pyridin-3-yl]amino]butyl]azanium

Systemtic Name: [4-oxidanylidene-4-[[6-[[(2S)-2-oxidanylpropyl]amino]pyridin-3-yl]amino]butyl]azanium Openeye Name: [4-[[6-[[(2S)-2-hydroxypropyl]amino]-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-[[(2S)-2-hydroxypropyl]amino]-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-[[(2S)-2-hydroxypropyl]amino]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-[[(2S)-2-hydroxypropyl]amino]-3-pyridyl]amino]-4-keto-butyl]ammonium Formula: C12H21N4O2+ MolecularWeight: 253.32074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC=C(C=C1)NC(=O)CCC[NH3+])O

Isomeric SMILES

C[C@@H](CNC1=NC=C(C=C1)NC(=O)CCC[NH3+])O

InChI

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