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

Systemtic Name: 1-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-methoxyphenyl)-4-[(5-nitro-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(4-methoxyphenyl)-4-[(5-nitro-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-methoxyphenyl)-4-[(5-nitrofuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-(4-methoxyphenyl)-4-[(5-nitro-2-furyl)methyl]piperazin-4-ium Formula: C16H20N3O4+ MolecularWeight: 318.3477

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4/c1-22-14-4-2-13(3-5-14)18-10-8-17(9-11-18)12-15-6-7-16(23-15)19(20)21/h2-7H,8-12H2,1H3/p+1