[(S)-cyano-(3,4,5-trimethoxyphenyl)methyl]-diethyl-azanium

Systemtic Name: [(S)-cyano-(3,4,5-trimethoxyphenyl)methyl]-diethyl-azanium Openeye Name: [(S)-cyano-(3,4,5-trimethoxyphenyl)methyl]-diethyl-ammonium CAS Name: [(S)-cyano-(3,4,5-trimethoxyphenyl)methyl]-diethylammonium IUPAC Name: [(S)-cyano-(3,4,5-trimethoxyphenyl)methyl]-diethylazanium Traditional Name: [(S)-cyano-(3,4,5-trimethoxyphenyl)methyl]-diethyl-ammonium Formula: C15H23N2O3+ MolecularWeight: 279.35472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C#N)C1=CC(=C(C(=C1)OC)OC)OC

Isomeric SMILES

CC[NH+](CC)[C@H](C#N)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C15H22N2O3/c1-6-17(7-2)12(10-16)11-8-13(18-3)15(20-5)14(9-11)19-4/h8-9,12H,6-7H2,1-5H3/p+1/t12-/m1/s1