(E)-but-2-enedioate; 1-carbazol-9-yl-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol

Systemtic Name: (E)-but-2-enedioate; 1-carbazol-9-yl-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol Openeye Name: (E)-but-2-enedioate; 1-carbazol-9-yl-3-[4-(2-methylallyl)piperazine-1,4-diium-1-yl]propan-2-ol CAS Name: (E)-2-butenedioate; 1-(9-carbazolyl)-3-[4-(2-methylprop-2-enyl)-1-piperazine-1,4-diiumyl]-2-propanol IUPAC Name: (E)-but-2-enedioate; 1-carbazol-9-yl-3-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]propan-2-ol Traditional Name: 1-carbazol-9-yl-3-[4-(2-methylallyl)piperazine-1,4-diium-1-yl]propan-2-ol fumarate Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[NH+]1CC[NH+](CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=C)C[NH+]1CC[NH+](CC1)CC(CN2C3=CC=CC=C3C4=CC=CC=C42)O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C23H29N3O.C4H4O4/c1-18(2)15-24-11-13-25(14-12-24)16-19(27)17-26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26;5-3(6)1-2-4(7)8/h3-10,19,27H,1,11-17H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+