N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine

Systemtic Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine Openeye Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine CAS Name: N-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(3-phenoxyphenyl)methanimine IUPAC Name: N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenoxyphenyl)methanimine Traditional Name: (E)-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]-(3-phenoxybenzylidene)amine Formula: C24H25ClN3O+ MolecularWeight: 406.9278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)N=CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)/N=C/C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H24ClN3O/c25-24-12-5-4-8-21(24)19-27-13-15-28(16-14-27)26-18-20-7-6-11-23(17-20)29-22-9-2-1-3-10-22/h1-12,17-18H,13-16,19H2/p+1/b26-18+