[4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-[2-(3-methoxyphenyl)ethyl]-dimethyl-azanium

Systemtic Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-[2-(3-methoxyphenyl)ethyl]-dimethyl-azanium Openeye Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-[2-(3-methoxyphenyl)ethyl]-dimethyl-ammonium CAS Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-[2-(3-methoxyphenyl)ethyl]-dimethylammonium IUPAC Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-[2-(3-methoxyphenyl)ethyl]-dimethylazanium Traditional Name: [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-[2-(3-methoxyphenyl)ethyl]-dimethyl-ammonium Formula: C27H39N2O3+ MolecularWeight: 439.61016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC[N+](C)(C)CCC1=CC(=CC=C1)OC)(C#N)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)C(CCC[N+](C)(C)CCC1=CC(=CC=C1)OC)(C#N)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C27H39N2O3/c1-21(2)27(20-28,23-12-13-25(31-6)26(19-23)32-7)15-9-16-29(3,4)17-14-22-10-8-11-24(18-22)30-5/h8,10-13,18-19,21H,9,14-17H2,1-7H3/q+1