1-[2-[(3,4-dichlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(3,4-dichlorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(3,4-dichlorophenyl)methyl-methyl-amino]-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(3,4-dichlorophenyl)methyl-methylamino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(3,4-dichlorobenzyl)-methyl-amino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C22H26Cl2N3O3+ MolecularWeight: 451.36614

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

CN(CC1=CC(=C(C=C1)Cl)Cl)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C22H25Cl2N3O3/c1-26(13-15-6-7-17(23)18(24)12-15)21(29)14-27-10-8-16(9-11-27)22(30)25-19-4-2-3-5-20(19)28/h2-7,12,16,28H,8-11,13-14H2,1H3,(H,25,30)/p+1