2-azanyl-3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-1-benzopyran-4-one IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one Traditional Name: 2-amino-3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromone Formula: C22H23N4O3S+ MolecularWeight: 423.50802

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)O

InChI

InChI=1S/C22H22N4O3S/c1-25-8-10-26(11-9-25)12-14-16(27)7-6-13-19(28)18(21(23)29-20(13)14)22-24-15-4-2-3-5-17(15)30-22/h2-7,27H,8-12,23H2,1H3/p+1