(E)-but-2-enedioic acid; N-methyl-N-[1-(3-phenethyloxypropyl)piperidin-4-yl]-4H-3,1-benzothiazin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-N-[1-(3-phenethyloxypropyl)piperidin-4-yl]-4H-3,1-benzothiazin-2-amine Openeye Name: fumaric acid; N-methyl-N-[1-(3-phenethyloxypropyl)-4-piperidyl]-4H-3,1-benzothiazin-2-amine CAS Name: (E)-2-butenedioic acid; N-methyl-N-[1-(3-phenethyloxypropyl)-4-piperidinyl]-4H-3,1-benzothiazin-2-amine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-N-[1-(3-phenethyloxypropyl)piperidin-4-yl]-4H-3,1-benzothiazin-2-amine Traditional Name: 4H-3,1-benzothiazin-2-yl-methyl-[1-(3-phenethyloxypropyl)-4-piperidyl]amine; fumaric acid Formula: C29H37N3O5S MolecularWeight: 539.68618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCOCCC2=CC=CC=C2)C3=NC4=CC=CC=C4CS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1CCN(CC1)CCCOCCC2=CC=CC=C2)C3=NC4=CC=CC=C4CS3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H33N3OS.C4H4O4/c1-27(25-26-24-11-6-5-10-22(24)20-30-25)23-12-16-28(17-13-23)15-7-18-29-19-14-21-8-3-2-4-9-21;5-3(6)1-2-4(7)8/h2-6,8-11,23H,7,12-20H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+