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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(3-methoxyphenyl)piperazin-1-ium Formula: C19H24BrN2O2+ MolecularWeight: 392.31006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O2/c1-23-17-5-3-4-16(13-17)22-10-8-21(9-11-22)14-15-6-7-19(24-2)18(20)12-15/h3-7,12-13H,8-11,14H2,1-2H3/p+1