2-(azepan-1-ium-1-yl)-1-phenothiazin-10-yl-ethanone

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-phenothiazin-10-yl-ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-phenothiazin-10-yl-ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-phenothiazin-10-ylethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-phenothiazin-10-yl-ethanone Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C20H22N2OS/c23-20(15-21-13-7-1-2-8-14-21)22-16-9-3-5-11-18(16)24-19-12-6-4-10-17(19)22/h3-6,9-12H,1-2,7-8,13-15H2/p+1