(Z)-but-2-enedioic acid; N-(3,4-dihydro-2H-thiochromen-4-yl)-N,1-dimethyl-piperidin-4-amine

Systemtic Name: (Z)-but-2-enedioic acid; N-(3,4-dihydro-2H-thiochromen-4-yl)-N,1-dimethyl-piperidin-4-amine Openeye Name: N,1-dimethyl-N-thiochroman-4-yl-piperidin-4-amine; maleic acid CAS Name: (Z)-2-butenedioic acid; N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-N,1-dimethyl-4-piperidinamine IUPAC Name: (Z)-but-2-enedioic acid; N-(3,4-dihydro-2H-thiochromen-4-yl)-N,1-dimethylpiperidin-4-amine Traditional Name: maleic acid; methyl-(1-methyl-4-piperidyl)-thiochroman-4-yl-amine Formula: C24H32N2O8S MolecularWeight: 508.58448

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2CCSC3=CC=CC=C23.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)N(C2C3=CC=CC=C3SCC2)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C16H24N2S.2C4H4O4/c1-17-10-7-13(8-11-17)18(2)15-9-12-19-16-6-4-3-5-14(15)16;2*5-3(6)1-2-4(7)8/h3-6,13,15H,7-12H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-