3-[[(S)-(4-tert-butylphenyl)-cyano-methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(S)-(4-tert-butylphenyl)-cyano-methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(S)-(4-tert-butylphenyl)-cyano-methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(S)-(4-tert-butylphenyl)-cyanomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(S)-(4-tert-butylphenyl)-cyanomethyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(S)-(4-tert-butylphenyl)-cyano-methyl]amino]propyl-dimethyl-ammonium Formula: C17H28N3+ MolecularWeight: 274.42432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3/c1-17(2,3)15-9-7-14(8-10-15)16(13-18)19-11-6-12-20(4)5/h7-10,16,19H,6,11-12H2,1-5H3/p+1/t16-/m1/s1