[2-(1-adamantyl)-2-oxidanylidene-ethyl]-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl]-[3-(2-chloranylphenothiazin-10-yl)propyl]-dimethyl-azanium Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl]-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium CAS Name: [2-(1-adamantyl)-2-oxoethyl]-[3-(2-chloro-10-phenothiazinyl)propyl]-dimethylammonium IUPAC Name: [2-(1-adamantyl)-2-oxoethyl]-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium Traditional Name: [2-(1-adamantyl)-2-keto-ethyl]-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium Formula: C29H36ClN2OS+ MolecularWeight: 496.12694

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H36ClN2OS/c1-32(2,19-28(33)29-16-20-12-21(17-29)14-22(13-20)18-29)11-5-10-31-24-6-3-4-7-26(24)34-27-9-8-23(30)15-25(27)31/h3-4,6-9,15,20-22H,5,10-14,16-19H2,1-2H3/q+1