4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenolate

Systemtic Name: 4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Openeye Name: 4-[(E)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenolate CAS Name: 4-[(E)-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]iminomethyl]phenolate IUPAC Name: 4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Traditional Name: 4-[(E)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Formula: C22H23N3O MolecularWeight: 345.43752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)N=CC4=CC=C(C=C4)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O/c26-21-10-8-18(9-11-21)16-23-25-14-12-24(13-15-25)17-20-6-3-5-19-4-1-2-7-22(19)20/h1-11,16,26H,12-15,17H2/b23-16+