(E)-but-2-enedioic acid; N-methyl-1-(phenylmethyl)-N-(3-phenylprop-2-ynyl)piperidin-4-amine

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-1-(phenylmethyl)-N-(3-phenylprop-2-ynyl)piperidin-4-amine Openeye Name: 1-benzyl-N-methyl-N-(3-phenylprop-2-ynyl)piperidin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-methyl-1-(phenylmethyl)-N-(3-phenylprop-2-ynyl)-4-piperidinamine IUPAC Name: 1-benzyl-N-methyl-N-(3-phenylprop-2-ynyl)piperidin-4-amine; (E)-but-2-enedioic acid Traditional Name: (1-benzyl-4-piperidyl)-methyl-(3-phenylprop-2-ynyl)amine; fumaric acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CC1=CC=CC=C1)C2CCN(CC2)CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CC#CC1=CC=CC=C1)C2CCN(CC2)CC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H26N2.C4H4O4/c1-23(16-8-13-20-9-4-2-5-10-20)22-14-17-24(18-15-22)19-21-11-6-3-7-12-21;5-3(6)1-2-4(7)8/h2-7,9-12,22H,14-19H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+