[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2,6-dimethoxyphenyl)methanone

Systemtic Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2,6-dimethoxyphenyl)methanone Openeye Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2,6-dimethoxyphenyl)methanone CAS Name: [4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]-(2,6-dimethoxyphenyl)methanone IUPAC Name: [4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(2,6-dimethoxyphenyl)methanone Traditional Name: [4-(3-bromobenzyl)piperazin-4-ium-1-yl]-(2,6-dimethoxyphenyl)methanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

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