[(S)-(4-tert-butylphenyl)-cyano-methyl]-diethyl-azanium

Systemtic Name: [(S)-(4-tert-butylphenyl)-cyano-methyl]-diethyl-azanium Openeye Name: [(S)-(4-tert-butylphenyl)-cyano-methyl]-diethyl-ammonium CAS Name: [(S)-(4-tert-butylphenyl)-cyanomethyl]-diethylammonium IUPAC Name: [(S)-(4-tert-butylphenyl)-cyanomethyl]-diethylazanium Traditional Name: [(S)-(4-tert-butylphenyl)-cyano-methyl]-diethyl-ammonium Formula: C16H25N2+ MolecularWeight: 245.3831

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2/c1-6-18(7-2)15(12-17)13-8-10-14(11-9-13)16(3,4)5/h8-11,15H,6-7H2,1-5H3/p+1/t15-/m1/s1