2,4-bis(chloranyl)-6-[[2-(2-methylpropanoylamino)ethylazaniumyl]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[2-(2-methylpropanoylamino)ethylazaniumyl]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[2-(2-methylpropanoylamino)ethylammonio]methyl]phenolate CAS Name: 2,4-dichloro-6-[[2-[(2-methyl-1-oxopropyl)amino]ethylammonio]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[2-(2-methylpropanoylamino)ethylazaniumyl]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[2-(isobutyrylamino)ethylammonio]methyl]phenolate Formula: C13H18Cl2N2O2 MolecularWeight: 305.20022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]CC1=CC(=CC(=C1[O-])Cl)Cl

Isomeric SMILES

CC(C)C(=O)NCC[NH2+]CC1=CC(=CC(=C1[O-])Cl)Cl

InChI

InChI=1S/C13H18Cl2N2O2/c1-8(2)13(19)17-4-3-16-7-9-5-10(14)6-11(15)12(9)18/h5-6,8,16,18H,3-4,7H2,1-2H3,(H,17,19)