1-butyl-2-(butylamino)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol

Systemtic Name: 1-butyl-2-(butylamino)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol Openeye Name: 1-butyl-2-(butylamino)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol CAS Name: 1-butyl-2-(butylamino)-4-methyl-5-benzo[e][1,3]benzothiazol-1-iumol IUPAC Name: 1-butyl-2-(butylamino)-4-methylbenzo[e][1,3]benzothiazol-1-ium-5-ol Traditional Name: 1-butyl-2-(butylamino)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=[N+](C2=C(S1)C(=C(C3=CC=CC=C32)O)C)CCCC

Isomeric SMILES

CCCCNC1=[N+](C2=C(S1)C(=C(C3=CC=CC=C32)O)C)CCCC

InChI

InChI=1S/C20H26N2OS/c1-4-6-12-21-20-22(13-7-5-2)17-15-10-8-9-11-16(15)18(23)14(3)19(17)24-20/h8-11,23H,4-7,12-13H2,1-3H3/p+1