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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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