1,3-benzothiazol-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]-(2-thienylmethyl)ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[[(2S)-2-oxolanyl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[(2S)-tetrahydrofuran-2-yl]methyl]-(2-thenyl)ammonium Formula: C18H21N2OS2+ MolecularWeight: 345.50214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+](CC2=CC=CS2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@H](OC1)C[NH+](CC2=CC=CS2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H20N2OS2/c1-2-8-17-16(7-1)19-18(23-17)13-20(11-14-5-3-9-21-14)12-15-6-4-10-22-15/h1-2,4,6-8,10,14H,3,5,9,11-13H2/p+1/t14-/m0/s1