[5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: [5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: [5-(3-hydroxyprop-1-ynyl)-2-thiophenyl]methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: [5-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: [5-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C17H21N4OS+ MolecularWeight: 329.43984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=C(S3)C#CCO

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=C(S3)C#CCO

InChI

InChI=1S/C17H20N4OS/c22-11-2-5-15-6-7-16(23-15)12-20-14-4-1-10-21(13-14)17-18-8-3-9-19-17/h3,6-9,14,20,22H,1,4,10-13H2/p+1/t14-/m0/s1