[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-methyl-azanium

Systemtic Name: [(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-[(5-ethanoyl-2-ethoxy-phenyl)methyl]-methyl-azanium Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-ammonium CAS Name: (5-acetyl-2-ethoxyphenyl)methyl-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylammonium IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylazanium Traditional Name: (5-acetyl-2-ethoxy-benzyl)-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methyl-ammonium Formula: C21H25N2O2S+ MolecularWeight: 369.5004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+](C)C(C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)C[NH+](C)[C@H](C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H24N2O2S/c1-5-25-19-11-10-16(15(3)24)12-17(19)13-23(4)14(2)21-22-18-8-6-7-9-20(18)26-21/h6-12,14H,5,13H2,1-4H3/p+1/t14-/m1/s1