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

Systemtic Name: 1-anthracen-9-yl-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Openeye Name: 1-(9-anthryl)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: 1-(9-anthracenyl)-N-[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]methanimine IUPAC Name: 1-anthracen-9-yl-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]methanimine Traditional Name: (Z)-9-anthrylmethylene-[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amine Formula: C28H30N3+ MolecularWeight: 408.5579

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H29N3/c1-21-11-12-25(22(2)17-21)20-30-13-15-31(16-14-30)29-19-28-26-9-5-3-7-23(26)18-24-8-4-6-10-27(24)28/h3-12,17-19H,13-16,20H2,1-2H3/p+1/b29-19-