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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2,5-dimethylphenyl)piperazin-1-ium Formula: C20H26BrN2O+ MolecularWeight: 390.33724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H25BrN2O/c1-15-4-5-16(2)19(12-15)23-10-8-22(9-11-23)14-17-6-7-20(24-3)18(21)13-17/h4-7,12-13H,8-11,14H2,1-3H3/p+1