2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-nitro-benzonitrile CAS Name: 2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-5-nitrobenzonitrile IUPAC Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-nitrobenzonitrile Traditional Name: 2-(4-benzhydrylpiperazin-4-ium-1-yl)-5-nitro-benzonitrile Formula: C24H23N4O2+ MolecularWeight: 399.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C24H22N4O2/c25-18-21-17-22(28(29)30)11-12-23(21)26-13-15-27(16-14-26)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17,24H,13-16H2/p+1