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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H32ClN3O4/c1-18(2)17-33-24-21(26)13-20(14-22(24)32-3)25(31)29-11-9-28(10-12-29)16-23(30)27-15-19-7-5-4-6-8-19/h4-8,13-14,18H,9-12,15-17H2,1-3H3,(H,27,30)/p+1