1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(furan-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(furan-2-ylmethyl)piperazin-4-ium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-(2-furylmethyl)piperazin-4-ium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2-furanylmethyl)piperazin-4-ium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(furan-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-(2-furfuryl)piperazin-4-ium Formula: C18H24N3O5+ MolecularWeight: 362.40026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CC[NH+](CC2)CC3=CC=CO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CC[NH+](CC2)CC3=CC=CO3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H23N3O5/c1-24-17-10-14(16(21(22)23)11-18(17)25-2)12-19-5-7-20(8-6-19)13-15-4-3-9-26-15/h3-4,9-11H,5-8,12-13H2,1-2H3/p+1