(E)-but-2-enedioic acid; [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]-thiophen-3-yl-methanone

Systemtic Name: (E)-but-2-enedioic acid; [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]-thiophen-3-yl-methanone Openeye Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidyl]-(3-thienyl)methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-piperidinyl]-(3-thiophenyl)methanone IUPAC Name: (E)-but-2-enedioic acid; [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone Traditional Name: [4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)piperidino]-(3-thienyl)methanone; fumaric acid Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CCC3=CC=CC=C3C2)C(=O)C4=CSC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1CN2CCC3=CC=CC=C3C2)C(=O)C4=CSC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H24N2OS.C4H4O4/c23-20(19-8-12-24-15-19)22-10-5-16(6-11-22)13-21-9-7-17-3-1-2-4-18(17)14-21;5-3(6)1-2-4(7)8/h1-4,8,12,15-16H,5-7,9-11,13-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+