(E)-but-2-enedioate; methyl-(11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)azanium

Systemtic Name: (E)-but-2-enedioate; methyl-(11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)azanium Openeye Name: (E)-but-2-enedioate; methyl-(11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)ammonium CAS Name: (E)-2-butenedioate; methyl-(11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)ammonium IUPAC Name: (E)-but-2-enedioate; methyl-(11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)azanium Traditional Name: methyl-(11-methyl-6,11-dihydro-5H-benzo[b][1]benzazepin-11-ium-5-yl)ammonium fumarate Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CC2=CC=CC=C2[NH+](C3=CC=CC=C13)C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH2+]C1CC2=CC=CC=C2[NH+](C3=CC=CC=C13)C.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H18N2.C4H4O4/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16;5-3(6)1-2-4(7)8/h3-10,14,17H,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+