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

Systemtic Name: 1-[(5-nitrofuran-2-yl)methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[(5-nitro-2-furyl)methyl]piperazin-4-ium CAS Name: 1-[(5-nitro-2-furanyl)methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[(5-nitro-2-furyl)methyl]piperazin-4-ium Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(O2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(O2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C16H19N3O3/c20-19(21)16-7-6-15(22-16)13-18-10-8-17(9-11-18)12-14-4-2-1-3-5-14/h1-7H,8-13H2/p+1