[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[5-(4-nitrophenyl)furan-2-yl]methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[5-(4-nitrophenyl)furan-2-yl]methanone Openeye Name: [5-(4-nitrophenyl)-2-furyl]-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-[5-(4-nitrophenyl)-2-furanyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[5-(4-nitrophenyl)furan-2-yl]methanone Traditional Name: [4-(2-methylbenzyl)piperazin-4-ium-1-yl]-[5-(4-nitrophenyl)-2-furyl]methanone Formula: C23H24N3O4+ MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O4/c1-17-4-2-3-5-19(17)16-24-12-14-25(15-13-24)23(27)22-11-10-21(30-22)18-6-8-20(9-7-18)26(28)29/h2-11H,12-16H2,1H3/p+1