4-[2-[1-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentan-3-yl]hydrazinyl]benzenesulfonic acid

Systemtic Name: 4-[2-[1-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentan-3-yl]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[2-[1-ethyl-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]hydrazino]benzenesulfonic acid CAS Name: 4-[1-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentan-3-ylhydrazo]benzenesulfonic acid IUPAC Name: 4-[2-[1-(2-methyl-1,3-benzothiazol-3-ium-3-yl)pentan-3-yl]hydrazinyl]benzenesulfonic acid Traditional Name: 4-[N'-[1-ethyl-3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl]hydrazino]besylic acid Formula: C19H24N3O3S2+ MolecularWeight: 406.54216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC[N+]1=C(SC2=CC=CC=C21)C)NNC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CCC(CC[N+]1=C(SC2=CC=CC=C21)C)NNC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C19H23N3O3S2/c1-3-15(20-21-16-8-10-17(11-9-16)27(23,24)25)12-13-22-14(2)26-19-7-5-4-6-18(19)22/h4-11,15,20-21H,3,12-13H2,1-2H3/p+1