2-azanyl-8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-chromen-7-olate

Systemtic Name: 2-azanyl-8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-oxidanylidene-chromen-7-olate Openeye Name: 2-amino-8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-oxo-chromen-7-olate CAS Name: 2-amino-8-(1-azepan-1-iumylmethyl)-3-(1,3-benzothiazol-2-yl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 2-amino-8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-oxochromen-7-olate Traditional Name: 2-amino-8-(azepan-1-ium-1-ylmethyl)-3-(1,3-benzothiazol-2-yl)-4-keto-chromen-7-olate Formula: C23H23N3O3S MolecularWeight: 421.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3S/c24-22-19(23-25-16-7-3-4-8-18(16)30-23)20(28)14-9-10-17(27)15(21(14)29-22)13-26-11-5-1-2-6-12-26/h3-4,7-10,27H,1-2,5-6,11-13,24H2