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

Systemtic Name: [4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone CAS Name: [4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3OC)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3OC)Br

InChI

InChI=1S/C20H23BrN2O3/c1-25-18-6-4-3-5-16(18)20(24)23-11-9-22(10-12-23)14-15-7-8-19(26-2)17(21)13-15/h3-8,13H,9-12,14H2,1-2H3/p+1