3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromene-2,7-dione

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromene-2,7-dione Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromene-2,7-dione CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-2,7-dione IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromene-2,7-dione Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromene-2,7-quinone Formula: C22H22N3O3S+ MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C3C(=CC(=C4NC5=CC=CC=C5S4)C(=O)O3)C=CC2=O

InChI

InChI=1S/C22H21N3O3S/c1-24-8-10-25(11-9-24)13-16-18(26)7-6-14-12-15(22(27)28-20(14)16)21-23-17-4-2-3-5-19(17)29-21/h2-7,12,23H,8-11,13H2,1H3/p+1