2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-6-methyl-chromen-4-one

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]carbonyl-6-methyl-chromen-4-one Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-6-methyl-chromen-4-one CAS Name: 2-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-6-methyl-1-benzopyran-4-one IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-6-methylchromen-4-one Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-carbonyl]-6-methyl-chromone Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)N3CC[NH+](CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O3S/c1-15-6-7-19-16(12-15)18(27)13-20(29-19)23(28)26-10-8-25(9-11-26)14-22-24-17-4-2-3-5-21(17)30-22/h2-7,12-13H,8-11,14H2,1H3/p+1