[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-azanium Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl]-[(4-ethoxy-3-methoxy-phenyl)methyl]-methyl-ammonium CAS Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylammonium IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]-[(4-ethoxy-3-methoxyphenyl)methyl]-methylazanium Traditional Name: [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl]-(4-ethoxy-3-methoxy-benzyl)-methyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+](C)C(C)C(=O)NC2=CC=C(C=C2)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+](C)[C@@H](C)C(=O)NC2=CC=C(C=C2)C#N)OC

InChI

InChI=1S/C21H25N3O3/c1-5-27-19-11-8-17(12-20(19)26-4)14-24(3)15(2)21(25)23-18-9-6-16(13-22)7-10-18/h6-12,15H,5,14H2,1-4H3,(H,23,25)/p+1/t15-/m0/s1