N-(4-bromanyl-3-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H22BrN4O3+ MolecularWeight: 434.30698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H21BrN4O3/c1-14-12-15(2-7-18(14)20)21-19(25)13-22-8-10-23(11-9-22)16-3-5-17(6-4-16)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25)/p+1