2-[4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[(6-bromanyl-2-oxidanyl-naphthalen-1-yl)methyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(6-bromo-2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[(6-bromo-2-hydroxynaphthalen-1-yl)methyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[(6-bromo-2-hydroxy-1-naphthyl)methyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C20H27BrN3O2+ MolecularWeight: 421.35128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)CC2=C(C=CC3=C2C=CC(=C3)Br)O

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)CC2=C(C=CC3=C2C=CC(=C3)Br)O

InChI

InChI=1S/C20H26BrN3O2/c1-14(2)22-20(26)13-24-9-7-23(8-10-24)12-18-17-5-4-16(21)11-15(17)3-6-19(18)25/h3-6,11,14,25H,7-10,12-13H2,1-2H3,(H,22,26)/p+1