2-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-[[2-(3-thienyl)thiazol-4-yl]methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-3-piperidin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-[[2-(3-thienyl)thiazol-4-yl]methyl]piperidin-1-ium-3-yl]-1,3-benzothiazole Formula: C20H20N3S3+ MolecularWeight: 398.5879

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CSC(=N2)C3=CSC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CSC(=N2)C3=CSC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H19N3S3/c1-2-6-18-17(5-1)22-20(26-18)14-4-3-8-23(10-14)11-16-13-25-19(21-16)15-7-9-24-12-15/h1-2,5-7,9,12-14H,3-4,8,10-11H2/p+1/t14-/m0/s1