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

Systemtic Name: [5-cyano-5-(3,4-dimethoxyphenyl)-6-methyl-hept-2-ynyl]-(diphenylmethyl)azanium chloride Openeye Name: benzhydryl-[5-cyano-5-(3,4-dimethoxyphenyl)-6-methyl-hept-2-ynyl]ammonium chloride CAS Name: [5-cyano-5-(3,4-dimethoxyphenyl)-6-methylhept-2-ynyl]-(diphenylmethyl)ammonium chloride IUPAC Name: benzhydryl-[5-cyano-5-(3,4-dimethoxyphenyl)-6-methylhept-2-ynyl]azanium chloride Traditional Name: benzhydryl-[5-cyano-5-(3,4-dimethoxyphenyl)-6-methyl-hept-2-ynyl]ammonium chloride Formula: C30H33ClN2O2 MolecularWeight: 489.04822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC#CC[NH2+]C(C1=CC=CC=C1)C2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC.[Cl-]

Isomeric SMILES

CC(C)C(CC#CC[NH2+]C(C1=CC=CC=C1)C2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC.[Cl-]

InChI

InChI=1S/C30H32N2O2.ClH/c1-23(2)30(22-31,26-17-18-27(33-3)28(21-26)34-4)19-11-12-20-32-29(24-13-7-5-8-14-24)25-15-9-6-10-16-25;/h5-10,13-18,21,23,29,32H,19-20H2,1-4H3;1H