3-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

Systemtic Name: 3-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Openeye Name: 3-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propanamide CAS Name: 3-[1-(1,3-benzothiazol-2-ylmethyl)-4-piperidin-1-iumyl]-N-[[(2R)-2-oxolanyl]methyl]propanamide IUPAC Name: 3-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide Traditional Name: 3-[1-(1,3-benzothiazol-2-ylmethyl)piperidin-1-ium-4-yl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]propionamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)CCC2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](OC1)CNC(=O)CCC2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H29N3O2S/c25-20(22-14-17-4-3-13-26-17)8-7-16-9-11-24(12-10-16)15-21-23-18-5-1-2-6-19(18)27-21/h1-2,5-6,16-17H,3-4,7-15H2,(H,22,25)/p+1/t17-/m1/s1