1,3-benzodioxol-5-yl-[(3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-(1,3-benzothiazol-2-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C21H21N2O3S+ MolecularWeight: 381.46804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N2O3S/c24-21(14-7-8-17-18(10-14)26-13-25-17)15-4-3-9-23(11-15)12-20-22-16-5-1-2-6-19(16)27-20/h1-2,5-8,10,15H,3-4,9,11-13H2/p+1/t15-/m0/s1