[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl]-cyclopropyl-[(4-isopropylphenyl)methyl]ammonium CAS Name: [2-(4-cyanoanilino)-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl]-cyclopropyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [2-(4-cyanoanilino)-2-keto-ethyl]-cyclopropyl-(4-isopropylbenzyl)ammonium Formula: C22H26N3O+ MolecularWeight: 348.46134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O/c1-16(2)19-7-3-18(4-8-19)14-25(21-11-12-21)15-22(26)24-20-9-5-17(13-23)6-10-20/h3-10,16,21H,11-12,14-15H2,1-2H3,(H,24,26)/p+1