[5-cyano-5-(3,4-dimethoxyphenyl)-6-methyl-hept-2-ynyl]-(phenanthren-9-ylmethyl)azanium chloride

Systemtic Name: [5-cyano-5-(3,4-dimethoxyphenyl)-6-methyl-hept-2-ynyl]-(phenanthren-9-ylmethyl)azanium chloride Openeye Name: [5-cyano-5-(3,4-dimethoxyphenyl)-6-methyl-hept-2-ynyl]-(9-phenanthrylmethyl)ammonium chloride CAS Name: [5-cyano-5-(3,4-dimethoxyphenyl)-6-methylhept-2-ynyl]-(9-phenanthrenylmethyl)ammonium chloride IUPAC Name: [5-cyano-5-(3,4-dimethoxyphenyl)-6-methylhept-2-ynyl]-(phenanthren-9-ylmethyl)azanium chloride Traditional Name: [5-cyano-5-(3,4-dimethoxyphenyl)-6-methyl-hept-2-ynyl]-(9-phenanthrylmethyl)ammonium chloride Formula: C32H33ClN2O2 MolecularWeight: 513.06962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H32N2O2.ClH/c1-23(2)32(22-33,26-15-16-30(35-3)31(20-26)36-4)17-9-10-18-34-21-25-19-24-11-5-6-12-27(24)29-14-8-7-13-28(25)29;/h5-8,11-16,19-20,23,34H,17-18,21H2,1-4H3;1H