but-2-enedioic acid; 2-piperazin-1-ylquinoline

Systemtic Name: but-2-enedioic acid; 2-piperazin-1-ylquinoline Openeye Name: but-2-enedioic acid; 2-piperazin-1-ylquinoline CAS Name: but-2-enedioic acid; 2-(1-piperazinyl)quinoline IUPAC Name: but-2-enedioic acid; 2-piperazin-1-ylquinoline Traditional Name: but-2-enedioic acid; 2-piperazinoquinoline Formula: C21H23N3O8 MolecularWeight: 445.42262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3C=C2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C13H15N3.2C4H4O4/c1-2-4-12-11(3-1)5-6-13(15-12)16-9-7-14-8-10-16;2*5-3(6)1-2-4(7)8/h1-6,14H,7-10H2;2*1-2H,(H,5,6)(H,7,8)