[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: [(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: [(3S)-1-pyrimidin-2-yl-3-piperidyl]-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: [(3S)-1-(2-pyrimidinyl)-3-piperidinyl]-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: [(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: [(3S)-1-(2-pyrimidyl)-3-piperidyl]-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium Formula: C17H21N6S+ MolecularWeight: 341.45384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=CN3C4=NC=CS4

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=CN3C4=NC=CS4

InChI

InChI=1S/C17H20N6S/c1-4-14(13-22(9-1)16-18-6-3-7-19-16)21-12-15-5-2-10-23(15)17-20-8-11-24-17/h2-3,5-8,10-11,14,21H,1,4,9,12-13H2/p+1/t14-/m0/s1