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

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-4H-3,1-benzothiazin-2-amine Openeye Name: N-[1-(2-benzyloxyethyl)-4-piperidyl]-N-methyl-4H-3,1-benzothiazin-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-methyl-N-[1-(2-phenylmethoxyethyl)-4-piperidinyl]-4H-3,1-benzothiazin-2-amine IUPAC Name: (E)-but-2-enedioic acid; N-methyl-N-[1-(2-phenylmethoxyethyl)piperidin-4-yl]-4H-3,1-benzothiazin-2-amine Traditional Name: 4H-3,1-benzothiazin-2-yl-[1-(2-benzoxyethyl)-4-piperidyl]-methyl-amine; fumaric acid Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)CCOCC2=CC=CC=C2)C3=NC4=CC=CC=C4CS3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C1CCN(CC1)CCOCC2=CC=CC=C2)C3=NC4=CC=CC=C4CS3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H29N3OS.C4H4O4/c1-25(23-24-22-10-6-5-9-20(22)18-28-23)21-11-13-26(14-12-21)15-16-27-17-19-7-3-2-4-8-19;5-3(6)1-2-4(7)8/h2-10,21H,11-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+