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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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