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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-iodoanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-iodoanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-iodoanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-iodoanilino)-2-keto-ethyl]-methyl-ammonium Formula: C17H17IN3OS+ MolecularWeight: 438.30585

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)I

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)I

InChI

InChI=1S/C17H16IN3OS/c1-21(10-16(22)19-13-8-6-12(18)7-9-13)11-17-20-14-4-2-3-5-15(14)23-17/h2-9H,10-11H2,1H3,(H,19,22)/p+1