2-[4-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-(3-chloro-5-ethoxy-4-propoxy-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(3-chloro-5-ethoxy-4-propoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(3-chloro-5-ethoxy-4-propoxybenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-(3-chloro-5-ethoxy-4-propoxy-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H33ClN3O4+ MolecularWeight: 475.00022

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)OCC

InChI

InChI=1S/C25H32ClN3O4/c1-3-14-33-24-21(26)15-20(16-22(24)32-4-2)25(31)29-12-10-28(11-13-29)18-23(30)27-17-19-8-6-5-7-9-19/h5-9,15-16H,3-4,10-14,17-18H2,1-2H3,(H,27,30)/p+1