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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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