1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-[4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(3-methylphenoxy)ethanone Formula: C21H26BrN2O3+ MolecularWeight: 434.34674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H25BrN2O3/c1-16-4-3-5-19(12-16)27-15-21(25)24-10-8-23(9-11-24)14-17-13-18(22)6-7-20(17)26-2/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1