[(2S)-2,4-dicyanobutyl]-[(2-methoxyphenyl)methyl]-(3-oxidanylpropyl)azanium

Systemtic Name: [(2S)-2,4-dicyanobutyl]-[(2-methoxyphenyl)methyl]-(3-oxidanylpropyl)azanium Openeye Name: [(2S)-2,4-dicyanobutyl]-(3-hydroxypropyl)-[(2-methoxyphenyl)methyl]ammonium CAS Name: [(2S)-2,4-dicyanobutyl]-(3-hydroxypropyl)-[(2-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2,4-dicyanobutyl]-(3-hydroxypropyl)-[(2-methoxyphenyl)methyl]azanium Traditional Name: [(2S)-2,4-dicyanobutyl]-(3-hydroxypropyl)-o-anisyl-ammonium Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+](CCCO)CC(CCC#N)C#N

Isomeric SMILES

COC1=CC=CC=C1C[NH+](CCCO)C[C@H](CCC#N)C#N

InChI

InChI=1S/C17H23N3O2/c1-22-17-8-3-2-7-16(17)14-20(10-5-11-21)13-15(12-19)6-4-9-18/h2-3,7-8,15,21H,4-6,10-11,13-14H2,1H3/p+1/t15-/m1/s1