dimethyl-(3-phenyl-3-pyridin-1-ium-2-yl-propyl)azanium; propanedioate

Systemtic Name: dimethyl-(3-phenyl-3-pyridin-1-ium-2-yl-propyl)azanium; propanedioate Openeye Name: dimethyl-(3-phenyl-3-pyridin-1-ium-2-yl-propyl)ammonium; propanedioate CAS Name: dimethyl-[3-phenyl-3-(2-pyridin-1-iumyl)propyl]ammonium; propanedioate IUPAC Name: dimethyl-(3-phenyl-3-pyridin-1-ium-2-ylpropyl)azanium; propanedioate Traditional Name: dimethyl-(3-phenyl-3-pyridin-1-ium-2-yl-propyl)ammonium; malonate Formula: C19H24N2O4 MolecularWeight: 344.40486

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(C1=CC=CC=C1)C2=CC=CC=[NH+]2.C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCC(C1=CC=CC=C1)C2=CC=CC=[NH+]2.C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H20N2.C3H4O4/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;4-2(5)1-3(6)7/h3-10,12,15H,11,13H2,1-2H3;1H2,(H,4,5)(H,6,7)