1,3-benzodioxol-5-yl-[(3S)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-morpholinothiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[[2-(4-morpholinyl)-5-thiazolyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(2-morpholinothiazol-5-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=C(S2)N3CCOCC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=C(S2)N3CCOCC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H25N3O4S/c25-20(15-3-4-18-19(10-15)28-14-27-18)16-2-1-5-23(12-16)13-17-11-22-21(29-17)24-6-8-26-9-7-24/h3-4,10-11,16H,1-2,5-9,12-14H2/p+1/t16-/m0/s1