(E)-but-2-enedioate; 1,1-dihexylpiperidin-1-ium

Systemtic Name: (E)-but-2-enedioate; 1,1-dihexylpiperidin-1-ium Openeye Name: (E)-but-2-enedioate; 1,1-dihexylpiperidin-1-ium CAS Name: (E)-2-butenedioate; 1,1-dihexylpiperidin-1-ium IUPAC Name: (E)-but-2-enedioate; 1,1-dihexylpiperidin-1-ium Traditional Name: 1,1-dihexylpiperidin-1-ium fumarate Formula: C38H74N2O4 MolecularWeight: 623.00516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CCCCC1)CCCCCC.CCCCCC[N+]1(CCCCC1)CCCCCC.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCC[N+]1(CCCCC1)CCCCCC.CCCCCC[N+]1(CCCCC1)CCCCCC.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C17H36N.C4H4O4/c2*1-3-5-7-10-14-18(15-11-8-6-4-2)16-12-9-13-17-18;5-3(6)1-2-4(7)8/h2*3-17H2,1-2H3;1-2H,(H,5,6)(H,7,8)/q2*+1;/p-2/b;;2-1+