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

Systemtic Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-(9H-fluoren-9-ylmethyl)-methyl-azanium chloride Openeye Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-(9H-fluoren-9-ylmethyl)-methyl-ammonium chloride CAS Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-(9H-fluoren-9-ylmethyl)-methylammonium chloride IUPAC Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-(9H-fluoren-9-ylmethyl)-methylazanium chloride Traditional Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-(9H-fluoren-9-ylmethyl)-methyl-ammonium chloride Formula: C31H37ClN2O2 MolecularWeight: 505.09068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC[NH+](C)CC1C2=CC=CC=C2C3=CC=CC=C13)(C#N)C4=CC(=C(C=C4)OC)OC.[Cl-]

Isomeric SMILES

CC(C)C(CCC[NH+](C)CC1C2=CC=CC=C2C3=CC=CC=C13)(C#N)C4=CC(=C(C=C4)OC)OC.[Cl-]

InChI

InChI=1S/C31H36N2O2.ClH/c1-22(2)31(21-32,23-15-16-29(34-4)30(19-23)35-5)17-10-18-33(3)20-28-26-13-8-6-11-24(26)25-12-7-9-14-27(25)28;/h6-9,11-16,19,22,28H,10,17-18,20H2,1-5H3;1H