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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2-nitrophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(2-nitrobenzyl)piperazine-1,4-diium Formula: C19H24BrN3O3+2 MolecularWeight: 422.31616

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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[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O3/c1-26-19-7-6-15(12-17(19)20)13-21-8-10-22(11-9-21)14-16-4-2-3-5-18(16)23(24)25/h2-7,12H,8-11,13-14H2,1H3/p+2