1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-methyl-piperazine-1,4-diium Formula: C14H23N3O4+2 MolecularWeight: 297.35012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC

InChI

InChI=1S/C14H21N3O4/c1-15-4-6-16(7-5-15)10-11-8-13(20-2)14(21-3)9-12(11)17(18)19/h8-9H,4-7,10H2,1-3H3/p+2