(2S)-2-(4-hydroxyphenyl)-2-piperazin-4-ium-1-yl-butanenitrile

Systemtic Name: (2S)-2-(4-hydroxyphenyl)-2-piperazin-4-ium-1-yl-butanenitrile Openeye Name: (2S)-2-(4-hydroxyphenyl)-2-piperazin-4-ium-1-yl-butanenitrile CAS Name: (2S)-2-(4-hydroxyphenyl)-2-(1-piperazin-4-iumyl)butanenitrile IUPAC Name: (2S)-2-(4-hydroxyphenyl)-2-piperazin-4-ium-1-ylbutanenitrile Traditional Name: (2S)-2-(4-hydroxyphenyl)-2-piperazin-4-ium-1-yl-butyronitrile Formula: C14H20N3O+ MolecularWeight: 246.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O/c1-2-14(11-15,17-9-7-16-8-10-17)12-3-5-13(18)6-4-12/h3-6,16,18H,2,7-10H2,1H3/p+1/t14-/m1/s1