1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-isopropylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-(4-propan-2-ylanilino)ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-(2-cumidino-2-keto-ethyl)-methyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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