1,7-dimethyl-4-nitro-3-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[2,3-c]pyridin-2-ium

Systemtic Name: 1,7-dimethyl-4-nitro-3-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[2,3-c]pyridin-2-ium Openeye Name: 1,7-dimethyl-4-nitro-3-(4-pyrimidin-2-ylpiperazin-1-yl)benzofuro[2,3-c]pyridin-2-ium CAS Name: 1,7-dimethyl-4-nitro-3-[4-(2-pyrimidinyl)-1-piperazinyl]benzofuro[2,3-c]pyridin-2-ium IUPAC Name: 1,7-dimethyl-4-nitro-3-(4-pyrimidin-2-ylpiperazin-1-yl)-[1]benzofuro[2,3-c]pyridin-2-ium Traditional Name: 1,7-dimethyl-4-nitro-3-[4-(2-pyrimidyl)piperazino]benzofuro[2,3-c]pyridin-2-ium Formula: C21H21N6O3+ MolecularWeight: 405.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C3=C(C(=[NH+]C(=C3O2)C)N4CCN(CC4)C5=NC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C3=C(C(=[NH+]C(=C3O2)C)N4CCN(CC4)C5=NC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O3/c1-13-4-5-15-16(12-13)30-19-14(2)24-20(18(17(15)19)27(28)29)25-8-10-26(11-9-25)21-22-6-3-7-23-21/h3-7,12H,8-11H2,1-2H3/p+1