1,3-benzothiazol-2-ylmethyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(2-ethoxycarbonylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(2-ethoxycarbonyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(2-carbethoxybenzofuran-3-yl)methyl]-methyl-ammonium Formula: C21H21N2O3S+ MolecularWeight: 381.46804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O3S/c1-3-25-21(24)20-15(14-8-4-6-10-17(14)26-20)12-23(2)13-19-22-16-9-5-7-11-18(16)27-19/h4-11H,3,12-13H2,1-2H3/p+1