N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine

Systemtic Name: N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine Openeye Name: N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine CAS Name: N-[4-(9H-fluoren-9-yl)-1-piperazin-4-iumyl]-1-(2,4,5-trimethoxyphenyl)methanimine IUPAC Name: N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine Traditional Name: (E)-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxybenzylidene)amine Formula: C27H30N3O3+ MolecularWeight: 444.5454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=NN2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=N/N2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35)OC)OC

InChI

InChI=1S/C27H29N3O3/c1-31-24-17-26(33-3)25(32-2)16-19(24)18-28-30-14-12-29(13-15-30)27-22-10-6-4-8-20(22)21-9-5-7-11-23(21)27/h4-11,16-18,27H,12-15H2,1-3H3/p+1/b28-18+