1-(1,3-benzothiazol-2-ylsulfanyl)-4-(4-methylpiperazin-4-ium-1-yl)naphthalen-2-ol

Systemtic Name: 1-(1,3-benzothiazol-2-ylsulfanyl)-4-(4-methylpiperazin-4-ium-1-yl)naphthalen-2-ol Openeye Name: 1-(1,3-benzothiazol-2-ylsulfanyl)-4-(4-methylpiperazin-4-ium-1-yl)naphthalen-2-ol CAS Name: 1-(1,3-benzothiazol-2-ylthio)-4-(4-methyl-1-piperazin-4-iumyl)-2-naphthalenol IUPAC Name: 1-(1,3-benzothiazol-2-ylsulfanyl)-4-(4-methylpiperazin-4-ium-1-yl)naphthalen-2-ol Traditional Name: 1-(1,3-benzothiazol-2-ylthio)-4-(4-methylpiperazin-4-ium-1-yl)-2-naphthol Formula: C22H22N3OS2+ MolecularWeight: 408.55958

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C3=CC=CC=C32)SC4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C22H21N3OS2/c1-24-10-12-25(13-11-24)18-14-19(26)21(16-7-3-2-6-15(16)18)28-22-23-17-8-4-5-9-20(17)27-22/h2-9,14,26H,10-13H2,1H3/p+1