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

Systemtic Name: (Z)-but-2-enedioate; 2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)-N-methyl-ethanamine Openeye Name: (Z)-but-2-enedioate; 2-(4-heptylsulfanyl-2,5-dimethoxy-phenyl)-N-methyl-ethanamine CAS Name: (Z)-2-butenedioate; 2-[4-(heptylthio)-2,5-dimethoxyphenyl]-N-methylethanamine IUPAC Name: (Z)-but-2-enedioate; 2-(4-heptylsulfanyl-2,5-dimethoxyphenyl)-N-methylethanamine Traditional Name: 2-[4-(heptylthio)-2,5-dimethoxy-phenyl]ethyl-methyl-amine maleate Formula: C22H33NO6S-2 MolecularWeight: 439.56552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H31NO2S.C4H4O4/c1-5-6-7-8-9-12-22-18-14-16(20-3)15(10-11-19-2)13-17(18)21-4;5-3(6)1-2-4(7)8/h13-14,19H,5-12H2,1-4H3;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1-