4-(1-methylpyrrolidin-1-ium-1-yl)pyridine; propanedioate

Systemtic Name: 4-(1-methylpyrrolidin-1-ium-1-yl)pyridine; propanedioate Openeye Name: 4-(1-methylpyrrolidin-1-ium-1-yl)pyridine; propanedioate CAS Name: 4-(1-methyl-1-pyrrolidin-1-iumyl)pyridine; propanedioate IUPAC Name: 4-(1-methylpyrrolidin-1-ium-1-yl)pyridine; propanedioate Traditional Name: malonate; 4-(1-methylpyrrolidin-1-ium-1-yl)pyridine Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)C2=CC=NC=C2.C[N+]1(CCCC1)C2=CC=NC=C2.C(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1)C2=CC=NC=C2.C[N+]1(CCCC1)C2=CC=NC=C2.C(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/2C10H15N2.C3H4O4/c2*1-12(8-2-3-9-12)10-4-6-11-7-5-10;4-2(5)1-3(6)7/h2*4-7H,2-3,8-9H2,1H3;1H2,(H,4,5)(H,6,7)/q2*+1;/p-2