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

Systemtic Name: (E)-but-2-enedioic acid; N-methyl-1-(4-nitrophenyl)-N-(phenylmethyl)piperidin-4-amine Openeye Name: N-benzyl-N-methyl-1-(4-nitrophenyl)piperidin-4-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-methyl-1-(4-nitrophenyl)-N-(phenylmethyl)-4-piperidinamine IUPAC Name: N-benzyl-N-methyl-1-(4-nitrophenyl)piperidin-4-amine; (E)-but-2-enedioic acid Traditional Name: benzyl-methyl-[1-(4-nitrophenyl)-4-piperidyl]amine; fumaric acid Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H23N3O2.C4H4O4/c1-20(15-16-5-3-2-4-6-16)17-11-13-21(14-12-17)18-7-9-19(10-8-18)22(23)24;5-3(6)1-2-4(7)8/h2-10,17H,11-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+