[(2S)-2-cyanopropyl]-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [(2S)-2-cyanopropyl]-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [(2S)-2-cyanopropyl]-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2S)-2-cyanopropyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylammonium IUPAC Name: [(2S)-2-cyanopropyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium Traditional Name: [(2S)-2-cyanopropyl]-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-ammonium Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC(C)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)C[C@H](C)C#N)OCC

InChI

InChI=1S/C17H25N3O3/c1-5-22-15-8-7-14(9-16(15)23-6-2)19-17(21)12-20(4)11-13(3)10-18/h7-9,13H,5-6,11-12H2,1-4H3,(H,19,21)/p+1/t13-/m1/s1