[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C19H21BrN3O4+ MolecularWeight: 435.29174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O4/c1-27-18-7-4-16(20)12-15(18)13-21-8-10-22(11-9-21)19(24)14-2-5-17(6-3-14)23(25)26/h2-7,12H,8-11,13H2,1H3/p+1