3-[[(S)-cyano-(4-propan-2-yloxyphenyl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(S)-cyano-(4-propan-2-yloxyphenyl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(S)-cyano-(4-isopropoxyphenyl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(S)-cyano-(4-propan-2-yloxyphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(S)-cyano-(4-propan-2-yloxyphenyl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(S)-cyano-(4-isopropoxyphenyl)methyl]amino]propyl-dimethyl-ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-13(2)20-15-8-6-14(7-9-15)16(12-17)18-10-5-11-19(3)4/h6-9,13,16,18H,5,10-11H2,1-4H3/p+1/t16-/m1/s1