1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanone Formula: C24H33N5O3+2 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O3/c1-20-6-2-3-7-21(20)18-25-12-16-28(17-13-25)24(30)19-26-10-14-27(15-11-26)22-8-4-5-9-23(22)29(31)32/h2-9H,10-19H2,1H3/p+2