5-chloranyl-2-[(3S)-piperidin-1-ium-3-yl]-1,3-benzothiazole

Systemtic Name: 5-chloranyl-2-[(3S)-piperidin-1-ium-3-yl]-1,3-benzothiazole Openeye Name: 5-chloro-2-[(3S)-piperidin-1-ium-3-yl]-1,3-benzothiazole CAS Name: 5-chloro-2-[(3S)-3-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 5-chloro-2-[(3S)-piperidin-1-ium-3-yl]-1,3-benzothiazole Traditional Name: 5-chloro-2-[(3S)-piperidin-1-ium-3-yl]-1,3-benzothiazole Formula: C12H14ClN2S+ MolecularWeight: 253.77096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C12H13ClN2S/c13-9-3-4-11-10(6-9)15-12(16-11)8-2-1-5-14-7-8/h3-4,6,8,14H,1-2,5,7H2/p+1/t8-/m0/s1