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

Systemtic Name: 4-methyl-1-propyl-2-(propylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol Openeye Name: 4-methyl-1-propyl-2-(propylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol CAS Name: 4-methyl-1-propyl-2-(propylamino)-5-benzo[e][1,3]benzothiazol-1-iumol IUPAC Name: 4-methyl-1-propyl-2-(propylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol Traditional Name: 4-methyl-1-propyl-2-(propylamino)benzo[e][1,3]benzothiazol-1-ium-5-ol Formula: C18H23N2OS+ MolecularWeight: 315.45302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2OS/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/p+1