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

Systemtic Name: 1-butyl-2-(cyclohexylamino)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol Openeye Name: 1-butyl-2-(cyclohexylamino)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol CAS Name: 1-butyl-2-(cyclohexylamino)-4-methyl-5-benzo[e][1,3]benzothiazol-1-iumol IUPAC Name: 1-butyl-2-(cyclohexylamino)-4-methylbenzo[e][1,3]benzothiazol-1-ium-5-ol Traditional Name: 1-butyl-2-(cyclohexylamino)-4-methyl-benzo[e][1,3]benzothiazol-1-ium-5-ol Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(SC2=C1C3=CC=CC=C3C(=C2C)O)NC4CCCCC4

Isomeric SMILES

CCCC[N+]1=C(SC2=C1C3=CC=CC=C3C(=C2C)O)NC4CCCCC4

InChI

InChI=1S/C22H28N2OS/c1-3-4-14-24-19-17-12-8-9-13-18(17)20(25)15(2)21(19)26-22(24)23-16-10-6-5-7-11-16/h8-9,12-13,16,25H,3-7,10-11,14H2,1-2H3/p+1