(2-azanylpyrimidin-5-yl)methyl-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]azanium

Systemtic Name: (2-azanylpyrimidin-5-yl)methyl-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]azanium Openeye Name: (2-aminopyrimidin-5-yl)methyl-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]ammonium CAS Name: (2-amino-5-pyrimidinyl)methyl-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidinyl]ammonium IUPAC Name: (2-aminopyrimidin-5-yl)methyl-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]azanium Traditional Name: (2-aminopyrimidin-5-yl)methyl-[(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]ammonium Formula: C17H21N6S+ MolecularWeight: 341.45384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]CC4=CN=C(N=C4)N

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC3=CC=CC=C3S2)[NH2+]CC4=CN=C(N=C4)N

InChI

InChI=1S/C17H20N6S/c18-16-20-9-12(10-21-16)8-19-13-4-3-7-23(11-13)17-22-14-5-1-2-6-15(14)24-17/h1-2,5-6,9-10,13,19H,3-4,7-8,11H2,(H2,18,20,21)/p+1/t13-/m0/s1