2-[[(S)-cyano-(4-methylphenyl)methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(S)-cyano-(4-methylphenyl)methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(S)-cyano(p-tolyl)methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(S)-cyano-(4-methylphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(S)-cyano-(4-methylphenyl)methyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(S)-cyano(p-tolyl)methyl]amino]ethyl-dimethyl-ammonium Formula: C13H20N3+ MolecularWeight: 218.318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)NCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C#N)NCC[NH+](C)C

InChI

InChI=1S/C13H19N3/c1-11-4-6-12(7-5-11)13(10-14)15-8-9-16(2)3/h4-7,13,15H,8-9H2,1-3H3/p+1/t13-/m1/s1