N-[azanyl-[(3R)-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene]methyl]-4-chloranyl-benzamide

Systemtic Name: N-[azanyl-[(3R)-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene]methyl]-4-chloranyl-benzamide Openeye Name: N-[amino-[(3R)-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene]methyl]-4-chloro-benzamide CAS Name: N-[amino-[(3R)-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene]methyl]-4-chlorobenzamide IUPAC Name: N-[amino-[(3R)-3-phenyl-3,4-dihydropyrazol-2-ium-2-ylidene]methyl]-4-chlorobenzamide Traditional Name: N-[amino-[(5R)-5-phenyl-2-pyrazolin-1-ium-1-ylidene]methyl]-4-chloro-benzamide Formula: C17H16ClN4O+ MolecularWeight: 327.78814

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Descriptors Computed from Structure

Canonical SMILES:

C1C=N[N+](=C(N)NC(=O)C2=CC=C(C=C2)Cl)C1C3=CC=CC=C3

Isomeric SMILES

C1C=N[N+](=C(N)NC(=O)C2=CC=C(C=C2)Cl)[C@H]1C3=CC=CC=C3

InChI

InChI=1S/C17H15ClN4O/c18-14-8-6-13(7-9-14)16(23)21-17(19)22-15(10-11-20-22)12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,19,21,23)/p+1/t15-/m1/s1