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

Systemtic Name: [4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2,3-dimethoxyphenyl)methanone Openeye Name: [4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2,3-dimethoxyphenyl)methanone CAS Name: [4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2,3-dimethoxyphenyl)methanone IUPAC Name: [4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2,3-dimethoxyphenyl)methanone Traditional Name: [4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(2,3-dimethoxyphenyl)methanone Formula: C21H26BrN2O4+ MolecularWeight: 450.34614

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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)OC)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4/c1-26-18-8-7-15(13-17(18)22)14-23-9-11-24(12-10-23)21(25)16-5-4-6-19(27-2)20(16)28-3/h4-8,13H,9-12,14H2,1-3H3/p+1