N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-(9-oxidanylideneacridin-10-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-(9-oxidanylideneacridin-10-yl)ethanamide Openeye Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide CAS Name: N-[4-(1-azepan-1-iumylmethyl)-2-thiazolyl]-2-(9-oxo-10-acridinyl)acetamide IUPAC Name: N-[4-(azepan-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-(9-oxoacridin-10-yl)acetamide Traditional Name: N-[4-(azepan-1-ium-1-ylmethyl)thiazol-2-yl]-2-(9-ketoacridin-10-yl)acetamide Formula: C25H27N4O2S+ MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CSC(=N2)NC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53

InChI

InChI=1S/C25H26N4O2S/c30-23(27-25-26-18(17-32-25)15-28-13-7-1-2-8-14-28)16-29-21-11-5-3-9-19(21)24(31)20-10-4-6-12-22(20)29/h3-6,9-12,17H,1-2,7-8,13-16H2,(H,26,27,30)/p+1