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

Systemtic Name: 1-[(5-methyl-2-phenyl-furan-3-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(5-methyl-2-phenyl-3-furyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(5-methyl-2-phenyl-3-furanyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(5-methyl-2-phenylfuran-3-yl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-[(5-methyl-2-phenyl-3-furyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(O1)C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O3/c1-17-15-19(22(28-17)18-5-3-2-4-6-18)16-23-11-13-24(14-12-23)20-7-9-21(10-8-20)25(26)27/h2-10,15H,11-14,16H2,1H3/p+1