(E)-but-2-enedioate; 1-(8,9-dihydro-7H-benzo[7]annulen-7-yl)-4-methyl-piperazine

Systemtic Name: (E)-but-2-enedioate; 1-(8,9-dihydro-7H-benzo[7]annulen-7-yl)-4-methyl-piperazine Openeye Name: (E)-but-2-enedioate; 1-(8,9-dihydro-7H-benzo[7]annulen-7-yl)-4-methyl-piperazine CAS Name: (E)-2-butenedioate; 1-(8,9-dihydro-7H-benzo[7]annulen-7-yl)-4-methylpiperazine IUPAC Name: (E)-but-2-enedioate; 1-(8,9-dihydro-7H-benzo[7]annulen-7-yl)-4-methylpiperazine Traditional Name: 1-(8,9-dihydro-7H-benzocyclohepten-7-yl)-4-methyl-piperazine difumarate Formula: C24H26N2O8-4 MolecularWeight: 470.47184

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC3=CC=CC=C3C=C2.C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2C=CC3=CC=CC=C3CC2.C(=C/C(=O)[O-])\C(=O)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C16H22N2.2C4H4O4/c1-17-10-12-18(13-11-17)16-8-6-14-4-2-3-5-15(14)7-9-16;2*5-3(6)1-2-4(7)8/h2-6,8,16H,7,9-13H2,1H3;2*1-2H,(H,5,6)(H,7,8)/p-4/b;2*2-1+