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

Systemtic Name: 1-[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(3-bromoanilino)-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-(3-bromoanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3-bromoanilino)-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(3-bromoanilino)-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C20H23BrN3O3+ MolecularWeight: 433.31892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H22BrN3O3/c21-15-4-3-5-16(12-15)22-19(26)13-24-10-8-14(9-11-24)20(27)23-17-6-1-2-7-18(17)25/h1-7,12,14,25H,8-11,13H2,(H,22,26)(H,23,27)/p+1