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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-[2-(1H-indol-3-yl)ethyl]ammonium Formula: C26H28BrN2O2+ MolecularWeight: 480.41672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Br)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CNC3=CC=CC=C32)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27BrN2O2/c1-2-30-25-15-20(14-23(27)26(25)31-18-19-8-4-3-5-9-19)16-28-13-12-21-17-29-24-11-7-6-10-22(21)24/h3-11,14-15,17,28-29H,2,12-13,16,18H2,1H3/p+1