[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-dimethylaminophenyl)methyl]-ethyl-azanium

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-dimethylaminophenyl)methyl]-ethyl-azanium Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]-[(4-dimethylaminophenyl)methyl]-ethyl-ammonium CAS Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[(4-dimethylaminophenyl)methyl]-ethylammonium IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-[(4-dimethylaminophenyl)methyl]-ethylazanium Traditional Name: [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]-[4-(dimethylamino)benzyl]-ethyl-ammonium Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)C(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)[C@H](C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H26N4O/c1-5-25(15-17-9-11-20(12-10-17)24(3)4)16(2)21(26)23-19-8-6-7-18(13-19)14-22/h6-13,16H,5,15H2,1-4H3,(H,23,26)/p+1/t16-/m1/s1