2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]-5-nitro-benzonitrile Formula: C19H23N6O2+ MolecularWeight: 367.42492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H22N6O2/c1-13(2)19-21-14(3)10-18(22-19)24-8-6-23(7-9-24)17-5-4-16(25(26)27)11-15(17)12-20/h4-5,10-11,13H,6-9H2,1-3H3/p+1