2-[4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(3-bromo-5-ethoxy-4-methoxy-benzoyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(3-bromo-5-ethoxy-4-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(3-bromo-5-ethoxy-4-methoxybenzoyl)piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-(3-bromo-5-ethoxy-4-methoxy-benzoyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C18H27BrN3O4+ MolecularWeight: 429.32868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(C)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)N(C)C)Br)OC

InChI

InChI=1S/C18H26BrN3O4/c1-5-26-15-11-13(10-14(19)17(15)25-4)18(24)22-8-6-21(7-9-22)12-16(23)20(2)3/h10-11H,5-9,12H2,1-4H3/p+1