8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-olate

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(1,3-benzothiazol-2-yl)-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-2-keto-chromen-7-olate Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5S4)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5S4)[O-]

InChI

InChI=1S/C23H22N2O3S/c26-19-10-9-15-13-16(22-24-18-7-3-4-8-20(18)29-22)23(27)28-21(15)17(19)14-25-11-5-1-2-6-12-25/h3-4,7-10,13,26H,1-2,5-6,11-12,14H2