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

Systemtic Name: (E)-but-2-enedioic acid; N-[1-[3-[(4-methoxyphenyl)methoxy]propyl]piperidin-4-yl]-N-methyl-4H-3,1-benzothiazin-2-amine Openeye Name: fumaric acid; N-[1-[3-[(4-methoxyphenyl)methoxy]propyl]-4-piperidyl]-N-methyl-4H-3,1-benzothiazin-2-amine CAS Name: (E)-2-butenedioic acid; N-[1-[3-[(4-methoxyphenyl)methoxy]propyl]-4-piperidinyl]-N-methyl-4H-3,1-benzothiazin-2-amine IUPAC Name: (E)-but-2-enedioic acid; N-[1-[3-[(4-methoxyphenyl)methoxy]propyl]piperidin-4-yl]-N-methyl-4H-3,1-benzothiazin-2-amine Traditional Name: 4H-3,1-benzothiazin-2-yl-methyl-[1-(3-p-anisyloxypropyl)-4-piperidyl]amine; fumaric acid Formula: C29H37N3O6S MolecularWeight: 555.68558

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCCOCC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4CS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1CCN(CC1)CCCOCC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4CS3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H33N3O2S.C4H4O4/c1-27(25-26-24-7-4-3-6-21(24)19-31-25)22-12-15-28(16-13-22)14-5-17-30-18-20-8-10-23(29-2)11-9-20;5-3(6)1-2-4(7)8/h3-4,6-11,22H,5,12-19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+