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

Systemtic Name: [4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C22H28BrN2O5+ MolecularWeight: 480.37212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O5/c1-27-18-6-5-17(23)11-16(18)14-24-7-9-25(10-8-24)22(26)15-12-19(28-2)21(30-4)20(13-15)29-3/h5-6,11-13H,7-10,14H2,1-4H3/p+1