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

Systemtic Name: 3-[[(S)-cyano-(2-methoxyphenyl)methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(S)-cyano-(2-methoxyphenyl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(S)-cyano-(2-methoxyphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(S)-cyano-(2-methoxyphenyl)methyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(S)-cyano-(2-methoxyphenyl)methyl]amino]propyl-dimethyl-ammonium Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(C#N)C1=CC=CC=C1OC

Isomeric SMILES

C[NH+](C)CCCN[C@H](C#N)C1=CC=CC=C1OC

InChI

InChI=1S/C14H21N3O/c1-17(2)10-6-9-16-13(11-15)12-7-4-5-8-14(12)18-3/h4-5,7-8,13,16H,6,9-10H2,1-3H3/p+1/t13-/m1/s1