[3-[[dimethyl-(phenylmethyl)azaniumyl]methyl]-2-methoxy-4,6-dimethyl-phenyl]methyl-dimethyl-(phenylmethyl)azanium dichloride

Systemtic Name: [3-[[dimethyl-(phenylmethyl)azaniumyl]methyl]-2-methoxy-4,6-dimethyl-phenyl]methyl-dimethyl-(phenylmethyl)azanium dichloride Openeye Name: benzyl-[[3-[[benzyl(dimethyl)ammonio]methyl]-2-methoxy-4,6-dimethyl-phenyl]methyl]-dimethyl-ammonium dichloride CAS Name: [3-[[dimethyl-(phenylmethyl)ammonio]methyl]-2-methoxy-4,6-dimethylphenyl]methyl-dimethyl-(phenylmethyl)ammonium dichloride IUPAC Name: benzyl-[[3-[[benzyl(dimethyl)azaniumyl]methyl]-2-methoxy-4,6-dimethylphenyl]methyl]-dimethylazanium dichloride Traditional Name: benzyl-[3-[[benzyl(dimethyl)ammonio]methyl]-2-methoxy-4,6-dimethyl-benzyl]-dimethyl-ammonium dichloride Formula: C29H40Cl2N2O MolecularWeight: 503.5467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C[N+](C)(C)CC2=CC=CC=C2)OC)C[N+](C)(C)CC3=CC=CC=C3)C.[Cl-].[Cl-]

Isomeric SMILES

CC1=CC(=C(C(=C1C[N+](C)(C)CC2=CC=CC=C2)OC)C[N+](C)(C)CC3=CC=CC=C3)C.[Cl-].[Cl-]

InChI

InChI=1S/C29H40N2O.2ClH/c1-23-18-24(2)28(22-31(5,6)20-26-16-12-9-13-17-26)29(32-7)27(23)21-30(3,4)19-25-14-10-8-11-15-25;;/h8-18H,19-22H2,1-7H3;2*1H/q+2;;/p-2