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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl]-methyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+](C)CC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C[NH+](C)CC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3OS/c1-15(16-8-4-3-5-9-16)12-21-19(24)13-23(2)14-20-22-17-10-6-7-11-18(17)25-20/h3-11,15H,12-14H2,1-2H3,(H,21,24)/p+1/t15-/m1/s1