(Z)-but-2-enedioic acid; 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine

Systemtic Name: (Z)-but-2-enedioic acid; 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine Openeye Name: maleic acid; 1-methyl-N-phenyl-N-(2-thienylmethyl)piperidin-4-amine CAS Name: (Z)-2-butenedioic acid; 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)-4-piperidinamine IUPAC Name: (Z)-but-2-enedioic acid; 1-methyl-N-phenyl-N-(thiophen-2-ylmethyl)piperidin-4-amine Traditional Name: maleic acid; (1-methyl-4-piperidyl)-phenyl-(2-thenyl)amine Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CC2=CC=CS2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)N(CC2=CC=CS2)C3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C17H22N2S.C4H4O4/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15;5-3(6)1-2-4(7)8/h2-8,13,16H,9-12,14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-