4-methyl-1-propyl-2-(propylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride

Systemtic Name: 4-methyl-1-propyl-2-(propylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Openeye Name: 4-methyl-1-propyl-2-(propylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride CAS Name: 4-methyl-1-propyl-2-(propylamino)-5-benzo[e][1,3]benzothiazol-1-iumol chloride IUPAC Name: 4-methyl-1-propyl-2-(propylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Traditional Name: 4-methyl-1-propyl-2-(propylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol chloride Formula: C18H23ClN2OS MolecularWeight: 350.90602

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=[N+](C2=C(S1)C(=C(C3=CC=CC=C32)O)C)CCC.[Cl-]

Isomeric SMILES

CCCNC1=[N+](C2=C(S1)C(=C(C3=CC=CC=C32)O)C)CCC.[Cl-]

InChI

InChI=1S/C18H22N2OS.ClH/c1-4-10-19-18-20(11-5-2)15-13-8-6-7-9-14(13)16(21)12(3)17(15)22-18;/h6-9,21H,4-5,10-11H2,1-3H3;1H