ethanedioate; 1-[2-(4-phenyl-1,2,3-triazol-2-yl)ethyl]piperidin-1-ium

Systemtic Name: ethanedioate; 1-[2-(4-phenyl-1,2,3-triazol-2-yl)ethyl]piperidin-1-ium Openeye Name: oxalate; 1-[2-(4-phenyltriazol-2-yl)ethyl]piperidin-1-ium CAS Name: oxalate; 1-[2-(4-phenyl-2-triazolyl)ethyl]piperidin-1-ium IUPAC Name: oxalate; 1-[2-(4-phenyltriazol-2-yl)ethyl]piperidin-1-ium Traditional Name: oxalate; 1-[2-(4-phenyltriazol-2-yl)ethyl]piperidin-1-ium Formula: C32H42N8O4 MolecularWeight: 602.72708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2N=CC(=N2)C3=CC=CC=C3.C1CC[NH+](CC1)CCN2N=CC(=N2)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2N=CC(=N2)C3=CC=CC=C3.C1CC[NH+](CC1)CCN2N=CC(=N2)C3=CC=CC=C3.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C15H20N4.C2H2O4/c2*1-3-7-14(8-4-1)15-13-16-19(17-15)12-11-18-9-5-2-6-10-18;3-1(4)2(5)6/h2*1,3-4,7-8,13H,2,5-6,9-12H2;(H,3,4)(H,5,6)