4-[4-[(1S,4Z,8Z)-8-hydroxyiminocyclooct-4-en-1-yl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[(1S,4Z,8Z)-8-hydroxyiminocyclooct-4-en-1-yl]piperazin-4-ium-1-yl]phenol Openeye Name: (4Z,8S)-8-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]cyclooct-4-en-1-one oxime CAS Name: (4Z,8S)-8-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-cyclooct-4-enone oxime IUPAC Name: 4-[4-[(1S,4Z,8Z)-8-hydroxyiminocyclooct-4-en-1-yl]piperazin-4-ium-1-yl]phenol Traditional Name: (4Z,8S)-8-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]cyclooct-4-en-1-one oxime Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=NO)CCC=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

Isomeric SMILES

C/1C[C@@H](/C(=N\O)/CC/C=C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H25N3O2/c22-16-9-7-15(8-10-16)20-11-13-21(14-12-20)18-6-4-2-1-3-5-17(18)19-23/h1-2,7-10,18,22-23H,3-6,11-14H2/p+1/b2-1-,19-17-/t18-/m0/s1