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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-ium Traditional Name: 1-benzyl-4-(3-bromo-4-methoxy-benzyl)piperazin-1-ium Formula: C19H24BrN2O+ MolecularWeight: 376.31066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC[NH+](CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C19H23BrN2O/c1-23-19-8-7-17(13-18(19)20)15-22-11-9-21(10-12-22)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3/p+1