(4-bromanyl-3-nitro-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromanyl-3-nitro-phenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-bromo-3-nitro-phenyl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-bromo-3-nitrophenyl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-bromo-3-nitrophenyl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-bromo-3-nitro-phenyl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C19H21BrN3O3+ MolecularWeight: 419.29234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O3/c1-14-4-2-3-5-16(14)13-21-8-10-22(11-9-21)19(24)15-6-7-17(20)18(12-15)23(25)26/h2-7,12H,8-11,13H2,1H3/p+1