(Z)-but-2-enedioic acid; 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine

Systemtic Name: (Z)-but-2-enedioic acid; 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine Openeye Name: maleic acid; 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine CAS Name: (Z)-2-butenedioic acid; 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine IUPAC Name: (Z)-but-2-enedioic acid; 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine Traditional Name: maleic acid; 1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine Formula: C23H30N2O8S MolecularWeight: 494.5579

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCCSC3=CC=CC=C23.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2C3=CC=CC=C3SCCC2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H22N2S.2C4H4O4/c1-16-8-10-17(11-9-16)14-6-4-12-18-15-7-3-2-5-13(14)15;2*5-3(6)1-2-4(7)8/h2-3,5,7,14H,4,6,8-12H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-