(E)-but-2-enedioic acid; N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine Openeye Name: fumaric acid; N-isobutyl-N-[(3-methyl-2-thienyl)methyl]piperidin-4-amine CAS Name: (E)-2-butenedioic acid; N-(2-methylpropyl)-N-[(3-methyl-2-thiophenyl)methyl]-4-piperidinamine IUPAC Name: (E)-but-2-enedioic acid; N-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine Traditional Name: fumaric acid; isobutyl-[(3-methyl-2-thienyl)methyl]-(4-piperidyl)amine Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC(C)C)C2CCNCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)CN(CC(C)C)C2CCNCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H26N2S.C4H4O4/c1-12(2)10-17(14-4-7-16-8-5-14)11-15-13(3)6-9-18-15;5-3(6)1-2-4(7)8/h6,9,12,14,16H,4-5,7-8,10-11H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+