1,3-benzothiazol-2-ylmethyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H23N3OS/c1-4-15-9-7-8-14(2)20(15)22-18(24)12-23(3)13-19-21-16-10-5-6-11-17(16)25-19/h5-11H,4,12-13H2,1-3H3,(H,22,24)/p+1