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

Systemtic Name: 1-anthracen-9-yl-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(9-anthryl)-N-[4-(p-tolylmethyl)piperazin-4-ium-1-yl]methanimine CAS Name: 1-(9-anthracenyl)-N-[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-anthracen-9-yl-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (E)-9-anthrylmethylene-[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amine Formula: C27H28N3+ MolecularWeight: 394.53132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)N=CC3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C27H27N3/c1-21-10-12-22(13-11-21)20-29-14-16-30(17-15-29)28-19-27-25-8-4-2-6-23(25)18-24-7-3-5-9-26(24)27/h2-13,18-19H,14-17,20H2,1H3/p+1/b28-19+