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

Systemtic Name: 2-azanyl-3-(1,3-benzothiazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 2-amino-3-(1,3-benzothiazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 2-amino-3-(1,3-benzothiazol-2-yl)-4-keto-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)[O-]

Isomeric SMILES

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=C(C3=O)C4=NC5=CC=CC=C5S4)N)[O-]

InChI

InChI=1S/C23H23N3O3S/c1-13-5-4-10-26(11-13)12-15-17(27)9-8-14-20(28)19(22(24)29-21(14)15)23-25-16-6-2-3-7-18(16)30-23/h2-3,6-9,13,27H,4-5,10-12,24H2,1H3