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

Systemtic Name: 2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-5-nitro-benzonitrile CAS Name: 2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-5-nitro-benzonitrile Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O2/c1-2-22-9-11-23(12-10-22)17-5-3-16(4-6-17)21-19-8-7-18(24(25)26)13-15(19)14-20/h3-8,13,21H,2,9-12H2,1H3/p+1