1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(4,5-dimethoxy-2-nitro-benzyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C18H23N4O4+ MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CCN(CC2)C3=CC=CC=[NH+]3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CCN(CC2)C3=CC=CC=[NH+]3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H22N4O4/c1-25-16-11-14(15(22(23)24)12-17(16)26-2)13-20-7-9-21(10-8-20)18-5-3-4-6-19-18/h3-6,11-12H,7-10,13H2,1-2H3/p+1