1-(2,3-dimethylphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[[5-(2-nitrophenyl)-2-furanyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[[5-(2-nitrophenyl)-2-furyl]methyl]piperazin-4-ium Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C23H25N3O3/c1-17-6-5-9-21(18(17)2)25-14-12-24(13-15-25)16-19-10-11-23(29-19)20-7-3-4-8-22(20)26(27)28/h3-11H,12-16H2,1-2H3/p+1