1-anthracen-9-yl-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine

Systemtic Name: 1-anthracen-9-yl-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(9-anthryl)-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: 1-(9-anthracenyl)-N-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-anthracen-9-yl-N-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-9-anthrylmethylene-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]amine Formula: C26H25ClN3+ MolecularWeight: 414.9498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)N=CC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)/N=C\C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C26H24ClN3/c27-26-12-6-3-9-22(26)19-29-13-15-30(16-14-29)28-18-25-23-10-4-1-7-20(23)17-21-8-2-5-11-24(21)25/h1-12,17-18H,13-16,19H2/p+1/b28-18-