(3R,4R)-3,4-bis(oxidanyl)hexane-2,5-dione; N,N,2-trimethyl-3-phenothiazin-10-yl-propan-1-amine

Systemtic Name: (3R,4R)-3,4-bis(oxidanyl)hexane-2,5-dione; N,N,2-trimethyl-3-phenothiazin-10-yl-propan-1-amine Openeye Name: (3R,4R)-3,4-dihydroxyhexane-2,5-dione; N,N,2-trimethyl-3-phenothiazin-10-yl-propan-1-amine CAS Name: (3R,4R)-3,4-dihydroxyhexane-2,5-dione; N,N,2-trimethyl-3-(10-phenothiazinyl)-1-propanamine IUPAC Name: (3R,4R)-3,4-dihydroxyhexane-2,5-dione; N,N,2-trimethyl-3-phenothiazin-10-ylpropan-1-amine Traditional Name: (3R,4R)-3,4-dihydroxyhexane-2,5-dione; dimethyl-(2-methyl-3-phenothiazin-10-yl-propyl)amine Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(=O)C(C(C(=O)C)O)O

Isomeric SMILES

CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.CC(=O)[C@@H]([C@H](C(=O)C)O)O

InChI

InChI=1S/C18H22N2S.C6H10O4/c1-14(12-19(2)3)13-20-15-8-4-6-10-17(15)21-18-11-7-5-9-16(18)20;1-3(7)5(9)6(10)4(2)8/h4-11,14H,12-13H2,1-3H3;5-6,9-10H,1-2H3/t;5-,6-/m.0/s1