[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl]-cyclopropyl-[(4-isopropylphenyl)methyl]ammonium CAS Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl]-cyclopropyl-(4-isopropylbenzyl)ammonium Formula: C22H25ClN3O+ MolecularWeight: 382.9064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3CC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(C=CC(=C2)Cl)C#N)C3CC3

InChI

InChI=1S/C22H24ClN3O/c1-15(2)17-5-3-16(4-6-17)13-26(20-9-10-20)14-22(27)25-21-11-19(23)8-7-18(21)12-24/h3-8,11,15,20H,9-10,13-14H2,1-2H3,(H,25,27)/p+1