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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C18H21BrN3O3+ MolecularWeight: 407.28164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O3/c1-25-18-7-2-14(12-17(18)19)13-20-8-10-21(11-9-20)15-3-5-16(6-4-15)22(23)24/h2-7,12H,8-11,13H2,1H3/p+1