1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(3-phenylpropyl)piperazine-1,4-diium Traditional Name: 1-(5-bromo-2-methoxy-benzyl)-4-(3-phenylpropyl)piperazine-1,4-diium Formula: C21H29BrN2O+2 MolecularWeight: 405.37176

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H27BrN2O/c1-25-21-10-9-20(22)16-19(21)17-24-14-12-23(13-15-24)11-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,16H,5,8,11-15,17H2,1H3/p+2