4,6-dimethyl-5-nitro-2-[4-(4-nitrophenyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-5-nitro-2-[4-(4-nitrophenyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-5-nitro-2-[4-(4-nitrophenyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-5-nitro-2-[4-(4-nitrophenyl)-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-5-nitro-2-[4-(4-nitrophenyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 4,6-dimethyl-5-nitro-2-[4-(4-nitrophenyl)piperazino]pyridin-1-ium-3-carbonitrile Formula: C18H19N6O4+ MolecularWeight: 383.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=[NH+]C(=C1[N+](=O)[O-])C)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H18N6O4/c1-12-16(11-19)18(20-13(2)17(12)24(27)28)22-9-7-21(8-10-22)14-3-5-15(6-4-14)23(25)26/h3-6H,7-10H2,1-2H3/p+1