(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[2-(2-methylpropanoylamino)ethyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[2-[(2-methyl-1-oxopropyl)amino]ethyl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[2-(2-methylpropanoylamino)ethyl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[2-(isobutyrylamino)ethyl]ammonium Formula: C14H22BrN2O3+ MolecularWeight: 346.24008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CC(C)C(=O)NCC[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C14H21BrN2O3/c1-9(2)14(19)17-5-4-16-8-10-6-11(15)13(18)12(7-10)20-3/h6-7,9,16,18H,4-5,8H2,1-3H3,(H,17,19)/p+1