N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine

Systemtic Name: N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine Openeye Name: N-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine CAS Name: N-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-1-(3-phenoxyphenyl)methanimine IUPAC Name: N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine Traditional Name: (Z)-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-(3-phenoxybenzylidene)amine Formula: C28H28N3O+ MolecularWeight: 422.54142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)N=CC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)/N=C\C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H27N3O/c1-2-12-26(13-3-1)32-27-14-6-8-23(20-27)21-29-31-18-16-30(17-19-31)22-25-11-7-10-24-9-4-5-15-28(24)25/h1-15,20-21H,16-19,22H2/p+1/b29-21-