(5-bromanyl-2-oxidanyl-phenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-2-hydroxy-phenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-2-hydroxyphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromo-2-hydroxyphenyl)-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-2-hydroxy-phenyl)-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H26BrN2O5+ MolecularWeight: 466.34554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O5/c1-27-18-7-4-14(19(28-2)20(18)29-3)13-23-8-10-24(11-9-23)21(26)16-12-15(22)5-6-17(16)25/h4-7,12,25H,8-11,13H2,1-3H3/p+1