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

Systemtic Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-(phenanthren-9-ylmethyl)azanium chloride Openeye Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-(9-phenanthrylmethyl)ammonium chloride CAS Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-(9-phenanthrenylmethyl)ammonium chloride IUPAC Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-(phenanthren-9-ylmethyl)azanium chloride Traditional Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-(9-phenanthrylmethyl)ammonium chloride Formula: C31H35ClN2O2 MolecularWeight: 503.0748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC[NH2+]CC1=CC2=CC=CC=C2C3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC.[Cl-]

Isomeric SMILES

CC(C)C(CCC[NH2+]CC1=CC2=CC=CC=C2C3=CC=CC=C31)(C#N)C4=CC(=C(C=C4)OC)OC.[Cl-]

InChI

InChI=1S/C31H34N2O2.ClH/c1-22(2)31(21-32,25-14-15-29(34-3)30(19-25)35-4)16-9-17-33-20-24-18-23-10-5-6-11-26(23)28-13-8-7-12-27(24)28;/h5-8,10-15,18-19,22,33H,9,16-17,20H2,1-4H3;1H