(E)-but-2-enedioic acid; 1-(4-ethylphenyl)-N-methyl-N-phenethyl-piperidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; 1-(4-ethylphenyl)-N-methyl-N-phenethyl-piperidin-4-amine Openeye Name: 1-(4-ethylphenyl)-N-methyl-N-phenethyl-piperidin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(4-ethylphenyl)-N-methyl-N-phenethyl-4-piperidinamine IUPAC Name: (E)-but-2-enedioic acid; 1-(4-ethylphenyl)-N-methyl-N-phenethylpiperidin-4-amine Traditional Name: [1-(4-ethylphenyl)-4-piperidyl]-methyl-phenethyl-amine; fumaric acid Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CCC(CC2)N(C)CCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)N2CCC(CC2)N(C)CCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H30N2.C4H4O4/c1-3-19-9-11-22(12-10-19)24-17-14-21(15-18-24)23(2)16-13-20-7-5-4-6-8-20;5-3(6)1-2-4(7)8/h4-12,21H,3,13-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+