3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropyl-propan-2-yl-azanium

Systemtic Name: 3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropyl-propan-2-yl-azanium Openeye Name: isopropyl-[3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropyl]ammonium CAS Name: 3-[(2-methyl-5-thieno[2,3-e][1,3]benzothiazolyl)oxy]propyl-propan-2-ylammonium IUPAC Name: 3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropyl-propan-2-ylazanium Traditional Name: isopropyl-[3-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxypropyl]ammonium Formula: C16H21N2OS2+ MolecularWeight: 321.48074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C3=C2SC=C3)OCCC[NH2+]C(C)C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C3=C2SC=C3)OCCC[NH2+]C(C)C

InChI

InChI=1S/C16H20N2OS2/c1-10(2)17-6-4-7-19-13-9-14-15(18-11(3)21-14)16-12(13)5-8-20-16/h5,8-10,17H,4,6-7H2,1-3H3/p+1