2-[(5-chloranylthiophen-2-yl)methylamino]ethyl-dimethyl-pyridin-2-yl-azanium; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methylamino]ethyl-dimethyl-pyridin-2-yl-azanium; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 2-[(5-chloro-2-thienyl)methylamino]ethyl-dimethyl-(2-pyridyl)ammonium; citric acid CAS Name: 2-[(5-chloro-2-thiophenyl)methylamino]ethyl-dimethyl-(2-pyridinyl)ammonium; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-[(5-chlorothiophen-2-yl)methylamino]ethyl-dimethyl-pyridin-2-ylazanium; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-[(5-chloro-2-thienyl)methylamino]ethyl-dimethyl-(2-pyridyl)ammonium; citric acid Formula: C20H27ClN3O7S+ MolecularWeight: 488.96228

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCNCC1=CC=C(S1)Cl)C2=CC=CC=N2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C[N+](C)(CCNCC1=CC=C(S1)Cl)C2=CC=CC=N2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C14H19ClN3S.C6H8O7/c1-18(2,14-5-3-4-8-17-14)10-9-16-11-12-6-7-13(15)19-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-8,16H,9-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;