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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C3=C1SC(=[N+]3CC(C)C)NCC(C)C)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C3=C1SC(=[N+]3CC(C)C)NCC(C)C)O

InChI

InChI=1S/C20H26N2OS/c1-12(2)10-21-20-22(11-13(3)4)17-15-8-6-7-9-16(15)18(23)14(5)19(17)24-20/h6-9,12-13,23H,10-11H2,1-5H3/p+1