4,6-dimethyl-5-nitro-2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-5-nitro-2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-5-nitro-2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-5-nitro-2-(4-phenyl-1-piperazinyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-5-nitro-2-(4-phenylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 4,6-dimethyl-5-nitro-2-(4-phenylpiperazino)pyridin-1-ium-3-carbonitrile Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2/c1-13-16(12-19)18(20-14(2)17(13)23(24)25)22-10-8-21(9-11-22)15-6-4-3-5-7-15/h3-7H,8-11H2,1-2H3/p+1