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

Systemtic Name: [4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone Openeye Name: [4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone CAS Name: [4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone Traditional Name: [4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]-(3,5-dimethoxyphenyl)methanone Formula: C21H26BrN2O4+ MolecularWeight: 450.34614

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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(=CC(=C3)OC)OC

Isomeric SMILES

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

InChI

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