2,3-bis(oxidanyl)butanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine; dihydrate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine; dihydrate Openeye Name: 2,3-dihydroxybutanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine; dihydrate CAS Name: 2,3-dihydroxybutanedioic acid; 3-(1-methyl-2-pyrrolidinyl)pyridine; dihydrate IUPAC Name: 2,3-dihydroxybutanedioic acid; 3-(1-methylpyrrolidin-2-yl)pyridine; dihydrate Traditional Name: nicotine; tartaric acid; dihydrate Formula: C18H30N2O14 MolecularWeight: 498.4358

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=CN=CC=C2.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O.O.O

Isomeric SMILES

CN1CCCC1C2=CN=CC=C2.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O.O.O

InChI

InChI=1S/C10H14N2.2C4H6O6.2H2O/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*5-1(3(7)8)2(6)4(9)10;;/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10);2*1H2