2-[[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]amino]ethyl-diisopropyl-ammonium Formula: C17H26ClN4O+ MolecularWeight: 337.86754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNCC(=O)NC1=CC(=C(C=C1)C#N)Cl)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNCC(=O)NC1=CC(=C(C=C1)C#N)Cl)C(C)C

InChI

InChI=1S/C17H25ClN4O/c1-12(2)22(13(3)4)8-7-20-11-17(23)21-15-6-5-14(10-19)16(18)9-15/h5-6,9,12-13,20H,7-8,11H2,1-4H3,(H,21,23)/p+1