N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: (1,1-diketo-1,2-benzothiazol-3-yl)-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amine Formula: C18H22N3O3S+ MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC2=NS(=O)(=O)C3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC2=NS(=O)(=O)C3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C18H21N3O3S/c22-25(23)17-9-3-2-7-14(17)18(20-25)19-13-15(16-8-6-12-24-16)21-10-4-1-5-11-21/h2-3,6-9,12,15H,1,4-5,10-11,13H2,(H,19,20)/p+1/t15-/m1/s1