4-[2-[3,4-bis(chloranyl)phenoxy]ethyl]-3-methoxy-1-pentyl-piperidin-1-ium; ethanedioate

Systemtic Name: 4-[2-[3,4-bis(chloranyl)phenoxy]ethyl]-3-methoxy-1-pentyl-piperidin-1-ium; ethanedioate Openeye Name: 4-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxy-1-pentyl-piperidin-1-ium; oxalate CAS Name: 4-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidin-1-ium; oxalate IUPAC Name: 4-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxy-1-pentylpiperidin-1-ium; oxalate Traditional Name: 1-amyl-4-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxy-piperidin-1-ium; oxalate Formula: C40H60Cl4N2O8 MolecularWeight: 838.725

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+]1CCC(C(C1)OC)CCOC2=CC(=C(C=C2)Cl)Cl.CCCCC[NH+]1CCC(C(C1)OC)CCOC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CCCCC[NH+]1CCC(C(C1)OC)CCOC2=CC(=C(C=C2)Cl)Cl.CCCCC[NH+]1CCC(C(C1)OC)CCOC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C19H29Cl2NO2.C2H2O4/c2*1-3-4-5-10-22-11-8-15(19(14-22)23-2)9-12-24-16-6-7-17(20)18(21)13-16;3-1(4)2(5)6/h2*6-7,13,15,19H,3-5,8-12,14H2,1-2H3;(H,3,4)(H,5,6)