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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3/c1-13-4-2-3-5-15(13)18-10-8-17(9-11-18)12-14-6-7-16(22-14)19(20)21/h2-7H,8-12H2,1H3/p+1