2-tert-butyl-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-dimethyl-azaniumyl]-N-methyl-pentanenitrilium

Systemtic Name: 2-tert-butyl-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-dimethyl-azaniumyl]-N-methyl-pentanenitrilium Openeye Name: 2-tert-butyl-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-dimethyl-ammonio]-N-methyl-pentanenitrilium CAS Name: 2-tert-butyl-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-dimethylammonio]-N-methylpentanenitrilium IUPAC Name: 2-tert-butyl-2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-dimethylazaniumyl]-N-methylpentanenitrilium Traditional Name: 2-tert-butyl-2-(3,4-dimethoxyphenyl)-5-[homoveratryl(dimethyl)ammonio]-N-methyl-valeronitrilium Formula: C30H46N2O4+2 MolecularWeight: 498.69724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O4/c1-29(2,3)30(22-31-4,24-13-15-26(34-8)28(21-24)36-10)17-11-18-32(5,6)19-16-23-12-14-25(33-7)27(20-23)35-9/h12-15,20-21H,11,16-19H2,1-10H3/q+2