4-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]indol-1-yl]butyl-dimethyl-azanium bromide

Systemtic Name: 4-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]indol-1-yl]butyl-dimethyl-azanium bromide Openeye Name: 4-[3-[1-[bis(4-methoxyphenyl)methylene]propyl]indol-1-yl]butyl-dimethyl-ammonium bromide CAS Name: 4-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]-1-indolyl]butyl-dimethylammonium bromide IUPAC Name: 4-[3-[1,1-bis(4-methoxyphenyl)but-1-en-2-yl]indol-1-yl]butyl-dimethylazanium bromide Traditional Name: 4-[3-[1-ethyl-2,2-bis(4-methoxyphenyl)vinyl]indol-1-yl]butyl-dimethyl-ammonium bromide Formula: C32H39BrN2O2 MolecularWeight: 563.56826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C3=CN(C4=CC=CC=C43)CCCC[NH+](C)C.[Br-]

Isomeric SMILES

CCC(=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C3=CN(C4=CC=CC=C43)CCCC[NH+](C)C.[Br-]

InChI

InChI=1S/C32H38N2O2.BrH/c1-6-28(30-23-34(22-10-9-21-33(2)3)31-12-8-7-11-29(30)31)32(24-13-17-26(35-4)18-14-24)25-15-19-27(36-5)20-16-25;/h7-8,11-20,23H,6,9-10,21-22H2,1-5H3;1H