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

Systemtic Name: 1-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(2-bromophenyl)methyl-methyl-amino]-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(2-bromobenzyl)-methyl-amino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C22H27BrN3O3+ MolecularWeight: 461.37208

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O

InChI

InChI=1S/C22H26BrN3O3/c1-25(14-17-6-2-3-7-18(17)23)21(28)15-26-12-10-16(11-13-26)22(29)24-19-8-4-5-9-20(19)27/h2-9,16,27H,10-15H2,1H3,(H,24,29)/p+1