1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)[NH+](C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)[NH+](C)CC2=NC3=CC=CC=C3S2

InChI

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