1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]azepan-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]azepan-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[1-[(2-chlorophenyl)methyl]-4-piperidyl]azepan-1-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-[1-[(2-chlorophenyl)methyl]-4-piperidinyl]azepan-1-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]azepan-1-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-[1-(2-chlorobenzyl)-4-piperidyl]azepan-1-ium binoxalate Formula: C20H29ClN2O4 MolecularWeight: 396.90826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2)CC3=CC=CC=C3Cl.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCC[NH+](CC1)C2CCN(CC2)CC3=CC=CC=C3Cl.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H27ClN2.C2H2O4/c19-18-8-4-3-7-16(18)15-20-13-9-17(10-14-20)21-11-5-1-2-6-12-21;3-1(4)2(5)6/h3-4,7-8,17H,1-2,5-6,9-15H2;(H,3,4)(H,5,6)