(2R)-1-(azepan-1-ium-1-yl)-3-phenothiazin-10-yl-propan-2-ol

Systemtic Name: (2R)-1-(azepan-1-ium-1-yl)-3-phenothiazin-10-yl-propan-2-ol Openeye Name: (2R)-1-(azepan-1-ium-1-yl)-3-phenothiazin-10-yl-propan-2-ol CAS Name: (2R)-1-(1-azepan-1-iumyl)-3-(10-phenothiazinyl)-2-propanol IUPAC Name: (2R)-1-(azepan-1-ium-1-yl)-3-phenothiazin-10-ylpropan-2-ol Traditional Name: (2R)-1-(azepan-1-ium-1-yl)-3-phenothiazin-10-yl-propan-2-ol Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(CN2C3=CC=CC=C3SC4=CC=CC=C42)O

Isomeric SMILES

C1CCC[NH+](CC1)C[C@@H](CN2C3=CC=CC=C3SC4=CC=CC=C42)O

InChI

InChI=1S/C21H26N2OS/c24-17(15-22-13-7-1-2-8-14-22)16-23-18-9-3-5-11-20(18)25-21-12-6-4-10-19(21)23/h3-6,9-12,17,24H,1-2,7-8,13-16H2/p+1/t17-/m0/s1