1-(furan-2-ylmethyl)-4-[(4-nitrophenyl)methyl]piperazin-1-ium

Systemtic Name: 1-(furan-2-ylmethyl)-4-[(4-nitrophenyl)methyl]piperazin-1-ium Openeye Name: 1-(2-furylmethyl)-4-[(4-nitrophenyl)methyl]piperazin-1-ium CAS Name: 1-(2-furanylmethyl)-4-[(4-nitrophenyl)methyl]piperazin-1-ium IUPAC Name: 1-(furan-2-ylmethyl)-4-[(4-nitrophenyl)methyl]piperazin-1-ium Traditional Name: 1-(2-furfuryl)-4-(4-nitrobenzyl)piperazin-1-ium Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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