2-[[(S)-cyano-(3-propan-2-yloxyphenyl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(S)-cyano-(3-propan-2-yloxyphenyl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(S)-cyano-(3-isopropoxyphenyl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(S)-cyano-(3-propan-2-yloxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(S)-cyano-(3-propan-2-yloxyphenyl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(S)-cyano-(3-isopropoxyphenyl)methyl]amino]ethyl-dimethyl-ammonium Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(C#N)NCC[NH+](C)C

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)[C@@H](C#N)NCC[NH+](C)C

InChI

InChI=1S/C15H23N3O/c1-12(2)19-14-7-5-6-13(10-14)15(11-16)17-8-9-18(3)4/h5-7,10,12,15,17H,8-9H2,1-4H3/p+1/t15-/m1/s1