1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]-methyl-ammonium Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21N3OS/c1-14(15-8-4-3-5-9-15)20-18(23)12-22(2)13-19-21-16-10-6-7-11-17(16)24-19/h3-11,14H,12-13H2,1-2H3,(H,20,23)/p+1/t14-/m1/s1