[(4S)-1-(4-chlorophenyl)-3-ethoxy-5-oxidanylidene-4H-pyrazol-4-yl]methylidene-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(4S)-1-(4-chlorophenyl)-3-ethoxy-5-oxidanylidene-4H-pyrazol-4-yl]methylidene-(pyridin-3-ylmethyl)azanium Openeye Name: [(4S)-1-(4-chlorophenyl)-3-ethoxy-5-oxo-4H-pyrazol-4-yl]methylene-(3-pyridylmethyl)ammonium CAS Name: [(4S)-1-(4-chlorophenyl)-3-ethoxy-5-oxo-4H-pyrazol-4-yl]methylidene-(3-pyridinylmethyl)ammonium IUPAC Name: [(4S)-1-(4-chlorophenyl)-3-ethoxy-5-oxo-4H-pyrazol-4-yl]methylidene-(pyridin-3-ylmethyl)azanium Traditional Name: [(4S)-1-(4-chlorophenyl)-3-ethoxy-5-keto-2-pyrazolin-4-yl]methylene-(3-pyridylmethyl)ammonium Formula: C18H18ClN4O2+ MolecularWeight: 357.81412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=O)C1C=[NH+]CC2=CN=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=NN(C(=O)[C@H]1C=[NH+]CC2=CN=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN4O2/c1-2-25-17-16(12-21-11-13-4-3-9-20-10-13)18(24)23(22-17)15-7-5-14(19)6-8-15/h3-10,12,16H,2,11H2,1H3/p+1/t16-/m0/s1