N-(4-bromophenyl)-2-[4-(4-ethoxyphenyl)carbonylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-(4-ethoxyphenyl)carbonylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[4-(4-ethoxybenzoyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(4-bromophenyl)-2-[4-[(4-ethoxyphenyl)-oxomethyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-bromophenyl)-2-[4-(4-ethoxybenzoyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromophenyl)-2-[4-(4-ethoxybenzoyl)piperidin-1-ium-1-yl]acetamide Formula: C22H26BrN2O3+ MolecularWeight: 446.35744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H25BrN2O3/c1-2-28-20-9-3-16(4-10-20)22(27)17-11-13-25(14-12-17)15-21(26)24-19-7-5-18(23)6-8-19/h3-10,17H,2,11-15H2,1H3,(H,24,26)/p+1