3-[[(S)-(4-bromophenyl)-cyano-methyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(S)-(4-bromophenyl)-cyano-methyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(S)-(4-bromophenyl)-cyano-methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(S)-(4-bromophenyl)-cyanomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(S)-(4-bromophenyl)-cyanomethyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(S)-(4-bromophenyl)-cyano-methyl]amino]propyl-dimethyl-ammonium Formula: C13H19BrN3+ MolecularWeight: 297.21406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrN3/c1-17(2)9-3-8-16-13(10-15)11-4-6-12(14)7-5-11/h4-7,13,16H,3,8-9H2,1-2H3/p+1/t13-/m1/s1