(2S)-1-(fluoren-9-ylideneamino)oxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(fluoren-9-ylideneamino)oxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(fluoren-9-ylideneamino)oxy-propan-2-ol CAS Name: (2S)-1-(9-fluorenylideneamino)oxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(fluoren-9-ylideneamino)oxypropan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(fluoren-9-ylideneamino)oxy-propan-2-ol Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(CON=C3C4=CC=CC=C4C5=CC=CC=C53)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@@H](CON=C3C4=CC=CC=C4C5=CC=CC=C53)O

InChI

InChI=1S/C27H29N3O2/c31-22(19-30-16-14-29(15-17-30)18-21-8-2-1-3-9-21)20-32-28-27-25-12-6-4-10-23(25)24-11-5-7-13-26(24)27/h1-13,22,31H,14-20H2/p+1/t22-/m0/s1