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

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)[O-]

Isomeric SMILES

CN1CC[NH+](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