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

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-[2-(1H-indol-3-yl)ethyl]ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]ammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]azanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-[2-(1H-indol-3-yl)ethyl]ammonium Formula: C25H26BrN2O2+ MolecularWeight: 466.39014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH2+]CCC2=CNC3=CC=CC=C32)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]CCC2=CNC3=CC=CC=C32)OCC4=CC=CC=C4

InChI

InChI=1S/C25H25BrN2O2/c1-29-24-14-21(26)13-20(25(24)30-17-18-7-3-2-4-8-18)15-27-12-11-19-16-28-23-10-6-5-9-22(19)23/h2-10,13-14,16,27-28H,11-12,15,17H2,1H3/p+1