[3-[[6-[[(2R)-1-oxidanylbutan-2-yl]amino]pyridin-3-yl]amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[[6-[[(2R)-1-oxidanylbutan-2-yl]amino]pyridin-3-yl]amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[[6-[[(1R)-1-(hydroxymethyl)propyl]amino]-3-pyridyl]amino]-3-oxo-propyl]ammonium CAS Name: [3-[[6-[[(2R)-1-hydroxybutan-2-yl]amino]-3-pyridinyl]amino]-3-oxopropyl]ammonium IUPAC Name: [3-[[6-[[(2R)-1-hydroxybutan-2-yl]amino]pyridin-3-yl]amino]-3-oxopropyl]azanium Traditional Name: [3-keto-3-[[6-[[(1R)-1-methylolpropyl]amino]-3-pyridyl]amino]propyl]ammonium Formula: C12H21N4O2+ MolecularWeight: 253.32074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O2/c1-2-9(8-17)15-11-4-3-10(7-14-11)16-12(18)5-6-13/h3-4,7,9,17H,2,5-6,8,13H2,1H3,(H,14,15)(H,16,18)/p+1/t9-/m1/s1