[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium-1-yl]-phenyl-methanone Formula: C19H22BrN2O2+ MolecularWeight: 390.29418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O2/c1-24-18-8-7-15(13-17(18)20)14-21-9-11-22(12-10-21)19(23)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3/p+1