1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(3-bromo-4-methoxy-phenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(3-bromo-4-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(3-bromo-4-methoxy-benzyl)piperazine-1,4-diium Formula: C19H25BrN2O+2 MolecularWeight: 377.3186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[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+2