(3S)-2-[azanyl(phenyl)methylidene]-3-ethoxy-5-methyl-4H-pyrazol-2-ium-3-ol

Systemtic Name: (3S)-2-[azanyl(phenyl)methylidene]-3-ethoxy-5-methyl-4H-pyrazol-2-ium-3-ol Openeye Name: (3S)-2-[amino(phenyl)methylene]-3-ethoxy-5-methyl-4H-pyrazol-2-ium-3-ol CAS Name: (3S)-2-[amino(phenyl)methylidene]-3-ethoxy-5-methyl-4H-pyrazol-2-ium-3-ol IUPAC Name: (3S)-2-[amino(phenyl)methylidene]-3-ethoxy-5-methyl-4H-pyrazol-2-ium-3-ol Traditional Name: (3S)-2-[amino(phenyl)methylene]-3-ethoxy-5-methyl-2-pyrazolin-2-ium-3-ol Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CC(=N[N+]1=C(C2=CC=CC=C2)N)C)O

Isomeric SMILES

CCO[C@]1(CC(=N[N+]1=C(C2=CC=CC=C2)N)C)O

InChI

InChI=1S/C13H17N3O2/c1-3-18-13(17)9-10(2)15-16(13)12(14)11-7-5-4-6-8-11/h4-8,14,17H,3,9H2,1-2H3/p+1/t13-/m0/s1