[4-[[6-[bis(2-hydroxyethyl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[6-[bis(2-hydroxyethyl)amino]pyridin-3-yl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[[6-[bis(2-hydroxyethyl)amino]-3-pyridyl]amino]-4-oxo-butyl]ammonium CAS Name: [4-[[6-[bis(2-hydroxyethyl)amino]-3-pyridinyl]amino]-4-oxobutyl]ammonium IUPAC Name: [4-[[6-[bis(2-hydroxyethyl)amino]pyridin-3-yl]amino]-4-oxobutyl]azanium Traditional Name: [4-[[6-[bis(2-hydroxyethyl)amino]-3-pyridyl]amino]-4-keto-butyl]ammonium Formula: C13H23N4O3+ MolecularWeight: 283.34672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1NC(=O)CCC[NH3+])N(CCO)CCO

Isomeric SMILES

C1=CC(=NC=C1NC(=O)CCC[NH3+])N(CCO)CCO

InChI

InChI=1S/C13H22N4O3/c14-5-1-2-13(20)16-11-3-4-12(15-10-11)17(6-8-18)7-9-19/h3-4,10,18-19H,1-2,5-9,14H2,(H,16,20)/p+1