ethyl 4-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)piperazin-4-ium-1-carboxylate chloride

Systemtic Name: ethyl 4-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)piperazin-4-ium-1-carboxylate chloride Openeye Name: ethyl 4-[2-hydroxy-3-(2-naphthyloxy)propyl]piperazin-4-ium-1-carboxylate chloride CAS Name: 4-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-1-piperazin-4-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 4-(2-hydroxy-3-naphthalen-2-yloxypropyl)piperazin-4-ium-1-carboxylate chloride Traditional Name: 4-[2-hydroxy-3-(2-naphthoxy)propyl]piperazin-4-ium-1-carboxylic acid ethyl ester chloride Formula: C20H27ClN2O4 MolecularWeight: 394.89238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC3=CC=CC=C3C=C2)O.[Cl-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(COC2=CC3=CC=CC=C3C=C2)O.[Cl-]

InChI

InChI=1S/C20H26N2O4.ClH/c1-2-25-20(24)22-11-9-21(10-12-22)14-18(23)15-26-19-8-7-16-5-3-4-6-17(16)13-19;/h3-8,13,18,23H,2,9-12,14-15H2,1H3;1H