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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(N-isopropylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(N-propan-2-ylanilino)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(N-propan-2-ylanilino)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(N-isopropylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3OS/c1-15(2)23(16-9-5-4-6-10-16)20(24)14-22(3)13-19-21-17-11-7-8-12-18(17)25-19/h4-12,15H,13-14H2,1-3H3/p+1