3-[[(S)-cyano-(2-methylphenyl)methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(S)-cyano-(2-methylphenyl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(S)-cyano(o-tolyl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(S)-cyano-(2-methylphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(S)-cyano-(2-methylphenyl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(S)-cyano(o-tolyl)methyl]amino]propyl-dimethyl-ammonium Formula: C14H22N3+ MolecularWeight: 232.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C#N)NCCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3/c1-12-7-4-5-8-13(12)14(11-15)16-9-6-10-17(2)3/h4-5,7-8,14,16H,6,9-10H2,1-3H3/p+1/t14-/m1/s1