2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-5-nitro-benzonitrile CAS Name: 2-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-methylpiperazin-4-ium-1-yl)anilino]-5-nitro-benzonitrile Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H19N5O2/c1-21-8-10-22(11-9-21)16-4-2-15(3-5-16)20-18-7-6-17(23(24)25)12-14(18)13-19/h2-7,12,20H,8-11H2,1H3/p+1