[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]-[(4-isopropylphenyl)methyl]-methyl-ammonium CAS Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]-(4-isopropylbenzyl)-methyl-ammonium Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](C)C(C)C(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+](C)CC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H25N3O/c1-15(2)18-11-9-17(10-12-18)14-24(4)16(3)21(25)23-20-8-6-5-7-19(20)13-22/h5-12,15-16H,14H2,1-4H3,(H,23,25)/p+1/t16-/m1/s1