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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(3-bromanyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(3-bromo-4-methyl-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(3-bromo-4-methyl-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C18H19BrN3OS+ MolecularWeight: 405.33196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3OS/c1-12-7-8-13(9-14(12)19)20-17(23)10-22(2)11-18-21-15-5-3-4-6-16(15)24-18/h3-9H,10-11H2,1-2H3,(H,20,23)/p+1