(2S)-2-(3-ethyl-1-benzofuran-2-yl)-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2S)-2-(3-ethyl-1-benzofuran-2-yl)-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2S)-2-(3-ethylbenzofuran-2-yl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2S)-2-(3-ethyl-2-benzofuranyl)-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2S)-2-(3-ethyl-1-benzofuran-2-yl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2S)-2-(3-ethylbenzofuran-2-yl)-2-piperazin-4-ium-1-yl-propionitrile Formula: C17H22N3O+ MolecularWeight: 284.37608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC2=CC=CC=C21)C(C)(C#N)N3CC[NH2+]CC3

Isomeric SMILES

CCC1=C(OC2=CC=CC=C21)[C@](C)(C#N)N3CC[NH2+]CC3

InChI

InChI=1S/C17H21N3O/c1-3-13-14-6-4-5-7-15(14)21-16(13)17(2,12-18)20-10-8-19-9-11-20/h4-7,19H,3,8-11H2,1-2H3/p+1/t17-/m0/s1