(2S)-2-(2-bromophenyl)-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2S)-2-(2-bromophenyl)-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2S)-2-(2-bromophenyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2S)-2-(2-bromophenyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2S)-2-(2-bromophenyl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2S)-2-(2-bromophenyl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C13H17BrN3+ MolecularWeight: 295.19818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC=CC=C1Br)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@](C#N)(C1=CC=CC=C1Br)N2CC[NH2+]CC2

InChI

InChI=1S/C13H16BrN3/c1-13(10-15,17-8-6-16-7-9-17)11-4-2-3-5-12(11)14/h2-5,16H,6-9H2,1H3/p+1/t13-/m1/s1