[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H21ClN4O/c1-15-8-9-19(18(21)10-15)23-20(26)14-24(2)12-16-11-22-25(13-16)17-6-4-3-5-7-17/h3-11,13H,12,14H2,1-2H3,(H,23,26)/p+1