[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-[2-(1H-indol-3-yl)ethyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-bromanyl-5-methoxy-phenyl]methyl-[2-(1H-indol-3-yl)ethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-bromo-5-methoxy-phenyl]methyl-[2-(1H-indol-3-yl)ethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-[2-(1H-indol-3-yl)ethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methyl-[2-(1H-indol-3-yl)ethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-bromo-5-methoxy-benzyl]-[2-(1H-indol-3-yl)ethyl]ammonium Formula: C20H23BrN3O3+ MolecularWeight: 433.31892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Br)OCC(=O)N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Br)OCC(=O)N

InChI

InChI=1S/C20H22BrN3O3/c1-26-18-9-13(8-16(21)20(18)27-12-19(22)25)10-23-7-6-14-11-24-17-5-3-2-4-15(14)17/h2-5,8-9,11,23-24H,6-7,10,12H2,1H3,(H2,22,25)/p+1