[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone

Systemtic Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone Openeye Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone CAS Name: [4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: [4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone Traditional Name: [4-(2-bromobenzyl)piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Br)OC

InChI

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