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

Systemtic Name: [4-[(4-bromanyl-3-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(4-bromo-3-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(4-bromo-3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(4-bromo-3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(4-bromo-3-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=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)Br)OC

InChI

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