4-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethoxy]benzonitrile Formula: C24H24N3O2+ MolecularWeight: 386.46626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)COC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)COC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H23N3O2/c25-16-19-8-10-22(11-9-19)29-18-24(28)27-14-12-26(13-15-27)17-21-6-3-5-20-4-1-2-7-23(20)21/h1-11H,12-15,17-18H2/p+1