(Z)-but-2-enedioate; 2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)-N,N-dimethyl-ethanamine

Systemtic Name: (Z)-but-2-enedioate; 2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)-N,N-dimethyl-ethanamine Openeye Name: (Z)-but-2-enedioate; 2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)-N,N-dimethyl-ethanamine CAS Name: (Z)-2-butenedioate; 2-[4-(heptylthio)-2,5-dimethoxyphenyl]-N,N-dimethylethanamine IUPAC Name: (Z)-but-2-enedioate; 2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N,N-dimethylethanamine Traditional Name: 2-[4-(heptylthio)-2,5-dimethoxy-phenyl]ethyl-dimethyl-amine maleate Formula: C23H35NO6S-2 MolecularWeight: 453.5921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=C(C=C(C(=C1)OC)CCN(C)C)OC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCSC1=C(C=C(C(=C1)OC)CCN(C)C)OC.C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C19H33NO2S.C4H4O4/c1-6-7-8-9-10-13-23-19-15-17(21-4)16(11-12-20(2)3)14-18(19)22-5;5-3(6)1-2-4(7)8/h14-15H,6-13H2,1-5H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-