3,6-bis(4-dimethylaminophenyl)-N-ethyl-2,4-dimethyl-aniline ethanoate

Systemtic Name: 3,6-bis(4-dimethylaminophenyl)-N-ethyl-2,4-dimethyl-aniline ethanoate Openeye Name: 3,6-bis(4-dimethylaminophenyl)-N-ethyl-2,4-dimethyl-aniline acetate CAS Name: 3,6-bis(4-dimethylaminophenyl)-N-ethyl-2,4-dimethylaniline acetate IUPAC Name: 3,6-bis(4-dimethylaminophenyl)-N-ethyl-2,4-dimethylaniline acetate Traditional Name: [4-[4-(4-dimethylaminophenyl)-2-(ethylamino)-3,5-dimethyl-phenyl]phenyl]-dimethyl-amine acetate Formula: C28H35N3O2 MolecularWeight: 445.5964

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C(=C(C=C1C2=CC=C(C=C2)N(C)C)[CH2+])C3=CC=C(C=C3)N(C)C)C.CC(=O)[O-]

Isomeric SMILES

CCNC1=C(C(=C(C=C1C2=CC=C(C=C2)N(C)C)[CH2+])C3=CC=C(C=C3)N(C)C)C.CC(=O)[O-]

InChI

InChI=1S/C26H32N3.C2H4O2/c1-8-27-26-19(3)25(21-11-15-23(16-12-21)29(6)7)18(2)17-24(26)20-9-13-22(14-10-20)28(4)5;1-2(3)4/h9-17,27H,2,8H2,1,3-7H3;1H3,(H,3,4)/q+1;/p-1