2,1,3-benzothiadiazol-5-ylmethyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: 2,1,3-benzothiadiazol-5-ylmethyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: piazthiol-5-ylmethyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C16H19N6S+ MolecularWeight: 327.42726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC4=NSN=C4C=C3

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C16H18N6S/c1-3-13(11-22(8-1)16-17-6-2-7-18-16)19-10-12-4-5-14-15(9-12)21-23-20-14/h2,4-7,9,13,19H,1,3,8,10-11H2/p+1/t13-/m0/s1