(4-bromophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-bromophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-bromophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-bromophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-bromophenyl)-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3/c1-25-18-7-8-19(26-2)16(13-18)14-22-9-11-23(12-10-22)20(24)15-3-5-17(21)6-4-15/h3-8,13H,9-12,14H2,1-2H3/p+1