2-[4-(4-butoxy-3-chloranyl-5-ethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-butoxy-3-chloranyl-5-ethoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-butoxy-3-chloro-5-ethoxy-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(4-butoxy-3-chloro-5-ethoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-butoxy-3-chloro-5-ethoxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(4-butoxy-3-chloro-5-ethoxy-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H35ClN3O4+ MolecularWeight: 452.9947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3)OCC

InChI

InChI=1S/C23H34ClN3O4/c1-3-5-14-31-22-19(24)15-18(16-20(22)30-4-2)23(29)27-12-10-25(11-13-27)17-21(28)26-8-6-7-9-26/h15-16H,3-14,17H2,1-2H3/p+1