2-[[(S)-(3-bromophenyl)-cyano-methyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(S)-(3-bromophenyl)-cyano-methyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(S)-(3-bromophenyl)-cyano-methyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(S)-(3-bromophenyl)-cyanomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(S)-(3-bromophenyl)-cyanomethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(S)-(3-bromophenyl)-cyano-methyl]amino]ethyl-dimethyl-ammonium Formula: C12H17BrN3+ MolecularWeight: 283.18748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrN3/c1-16(2)7-6-15-12(9-14)10-4-3-5-11(13)8-10/h3-5,8,12,15H,6-7H2,1-2H3/p+1/t12-/m1/s1