2-[4-[(4-methoxyphenyl)-phenylazanyl-methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dichloride

Systemtic Name: 2-[4-[(4-methoxyphenyl)-phenylazanyl-methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dichloride Openeye Name: 2-[4-[anilino-(4-methoxyphenyl)methylene]ammoniophenoxy]ethyl-diisopropyl-ammonium dichloride CAS Name: 2-[4-[anilino-(4-methoxyphenyl)methylidene]ammoniophenoxy]ethyl-di(propan-2-yl)ammonium dichloride IUPAC Name: 2-[4-[anilino-(4-methoxyphenyl)methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dichloride Traditional Name: 2-[4-[anilino-(4-methoxyphenyl)methylene]ammoniophenoxy]ethyl-diisopropyl-ammonium dichloride Formula: C28H37Cl2N3O2 MolecularWeight: 518.51828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCOC1=CC=C(C=C1)[NH+]=C(C2=CC=C(C=C2)OC)NC3=CC=CC=C3)C(C)C.[Cl-].[Cl-]

Isomeric SMILES

CC(C)[NH+](CCOC1=CC=C(C=C1)/[NH+]=C(/C2=CC=C(C=C2)OC)\NC3=CC=CC=C3)C(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C28H35N3O2.2ClH/c1-21(2)31(22(3)4)19-20-33-27-17-13-25(14-18-27)30-28(29-24-9-7-6-8-10-24)23-11-15-26(32-5)16-12-23;;/h6-18,21-22H,19-20H2,1-5H3,(H,29,30);2*1H