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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[[(R)-phenyl(2-thienyl)methyl]amino]ethyl]-methyl-ammonium Formula: C22H22N3OS2+ MolecularWeight: 408.55958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC(C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N[C@H](C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H21N3OS2/c1-25(15-21-23-17-10-5-6-11-18(17)28-21)14-20(26)24-22(19-12-7-13-27-19)16-8-3-2-4-9-16/h2-13,22H,14-15H2,1H3,(H,24,26)/p+1/t22-/m1/s1