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

Systemtic Name: 1-[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-phenoxyethanone IUPAC Name: 1-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-phenoxy-ethanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O3/c1-25-19-8-7-16(13-18(19)21)14-22-9-11-23(12-10-22)20(24)15-26-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3/p+1