anthracen-9-ylmethyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-azanium chloride

Systemtic Name: anthracen-9-ylmethyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-azanium chloride Openeye Name: 9-anthrylmethyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-ammonium chloride CAS Name: 9-anthracenylmethyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylammonium chloride IUPAC Name: anthracen-9-ylmethyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-methylazanium chloride Traditional Name: 9-anthrylmethyl-[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-methyl-ammonium chloride Formula: C32H37ClN2O2 MolecularWeight: 517.10138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC[NH+](C)CC1=C2C=CC=CC2=CC3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC.[Cl-]

Isomeric SMILES

CC(C)C(CCC[NH+](C)CC1=C2C=CC=CC2=CC3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC.[Cl-]

InChI

InChI=1S/C32H36N2O2.ClH/c1-23(2)32(22-33,26-15-16-30(35-4)31(20-26)36-5)17-10-18-34(3)21-29-27-13-8-6-11-24(27)19-25-12-7-9-14-28(25)29;/h6-9,11-16,19-20,23H,10,17-18,21H2,1-5H3;1H