(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium

Systemtic Name: (6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)methyl-methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]azanium Openeye Name: (1-benzylpyrazol-4-yl)methyl-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-methyl-ammonium CAS Name: (6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl-methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]ammonium IUPAC Name: (1-benzylpyrazol-4-yl)methyl-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-methylazanium Traditional Name: (1-benzylpyrazol-4-yl)methyl-[(6-chloro-2-keto-1,3-benzoxazol-3-yl)methyl]-methyl-ammonium Formula: C20H20ClN4O2+ MolecularWeight: 383.8514

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1)CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

C[NH+](CC1=CN(N=C1)CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C20H19ClN4O2/c1-23(14-25-18-8-7-17(21)9-19(18)27-20(25)26)11-16-10-22-24(13-16)12-15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3/p+1