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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-phenyl-piperazin-1-ium Formula: C18H22BrN2O+ MolecularWeight: 362.28408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O/c1-22-18-8-7-15(13-17(18)19)14-20-9-11-21(12-10-20)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3/p+1