1,3-benzothiazol-2-ylmethyl-[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[[2,6-bis(bromanyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,6-dibromo-4-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(2,6-dibromo-4-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C18H18Br2N3OS+ MolecularWeight: 484.22802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C18H17Br2N3OS/c1-11-7-12(19)18(13(20)8-11)22-16(24)9-23(2)10-17-21-14-5-3-4-6-15(14)25-17/h3-8H,9-10H2,1-2H3,(H,22,24)/p+1