(2R)-2-(5-bromanyl-1-benzofuran-2-yl)-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2R)-2-(5-bromanyl-1-benzofuran-2-yl)-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2R)-2-(5-bromobenzofuran-2-yl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2R)-2-(5-bromo-2-benzofuranyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2R)-2-(5-bromo-1-benzofuran-2-yl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2R)-2-(5-bromobenzofuran-2-yl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C15H17BrN3O+ MolecularWeight: 335.21898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC2=C(O1)C=CC(=C2)Br)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@](C#N)(C1=CC2=C(O1)C=CC(=C2)Br)N3CC[NH2+]CC3

InChI

InChI=1S/C15H16BrN3O/c1-15(10-17,19-6-4-18-5-7-19)14-9-11-8-12(16)2-3-13(11)20-14/h2-3,8-9,18H,4-7H2,1H3/p+1/t15-/m1/s1