N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1,3-benzothiazole-5-carboxamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1,3-benzothiazole-5-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1,3-benzothiazole-5-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-1,3-benzothiazole-5-carboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1,3-benzothiazole-5-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1,3-benzothiazole-5-carboxamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)NC(=O)C3=CC4=C(C=C3)SC=N4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)NC(=O)C3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C20H27N3OS/c24-20(16-8-9-19-18(11-16)21-14-25-19)22-17-7-4-10-23(13-17)12-15-5-2-1-3-6-15/h8-9,11,14-15,17H,1-7,10,12-13H2,(H,22,24)/p+1/t17-/m0/s1