(E)-but-2-enedioate; 2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyridin-3-ol

Systemtic Name: (E)-but-2-enedioate; 2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyridin-3-ol Openeye Name: (E)-but-2-enedioate; 2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyridin-3-ol CAS Name: (E)-2-butenedioate; 2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-3-pyridinol IUPAC Name: (E)-but-2-enedioate; 2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyridin-3-ol Traditional Name: 2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]pyridin-3-ol fumarate Formula: C15H21N3O5 MolecularWeight: 323.34434

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=C(C=CC=N2)O.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=C(C=CC=N2)O.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C11H17N3O.C4H4O4/c1-13-5-7-14(8-6-13)9-10-11(15)3-2-4-12-10;5-3(6)1-2-4(7)8/h2-4,15H,5-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+