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

Systemtic Name: 2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-5-nitro-benzonitrile Formula: C22H21N4O2+ MolecularWeight: 373.42774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C4=C(C=C(C=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C22H20N4O2/c23-15-19-14-20(26(27)28)8-9-22(19)25-12-10-24(11-13-25)16-18-6-3-5-17-4-1-2-7-21(17)18/h1-9,14H,10-13,16H2/p+1