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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c26-25(27)21-9-5-4-8-20(21)22-11-10-19(28-22)17-24-14-12-23(13-15-24)16-18-6-2-1-3-7-18/h1-11H,12-17H2/p+1