dicyclohexyl-[(2R)-2-oxidanyl-3-phenothiazin-10-yl-propyl]azanium

Systemtic Name: dicyclohexyl-[(2R)-2-oxidanyl-3-phenothiazin-10-yl-propyl]azanium Openeye Name: dicyclohexyl-[(2R)-2-hydroxy-3-phenothiazin-10-yl-propyl]ammonium CAS Name: dicyclohexyl-[(2R)-2-hydroxy-3-(10-phenothiazinyl)propyl]ammonium IUPAC Name: dicyclohexyl-[(2R)-2-hydroxy-3-phenothiazin-10-ylpropyl]azanium Traditional Name: dicyclohexyl-[(2R)-2-hydroxy-3-phenothiazin-10-yl-propyl]ammonium Formula: C27H37N2OS+ MolecularWeight: 437.66048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](CC(CN2C3=CC=CC=C3SC4=CC=CC=C42)O)C5CCCCC5

Isomeric SMILES

C1CCC(CC1)[NH+](C[C@@H](CN2C3=CC=CC=C3SC4=CC=CC=C42)O)C5CCCCC5

InChI

InChI=1S/C27H36N2OS/c30-23(19-28(21-11-3-1-4-12-21)22-13-5-2-6-14-22)20-29-24-15-7-9-17-26(24)31-27-18-10-8-16-25(27)29/h7-10,15-18,21-23,30H,1-6,11-14,19-20H2/p+1/t23-/m0/s1