3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromone Formula: C22H23N3O3S+2 MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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