methyl-[(2S)-2-oxidanyl-3-(10H-phenothiazin-10-ium-10-yl)propyl]azanium

Systemtic Name: methyl-[(2S)-2-oxidanyl-3-(10H-phenothiazin-10-ium-10-yl)propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(10H-phenothiazin-10-ium-10-yl)propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-(10H-phenothiazin-10-ium-10-yl)propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-(10H-phenothiazin-10-ium-10-yl)propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(10H-phenothiazin-10-ium-10-yl)propyl]-methyl-ammonium Formula: C16H20N2OS+2 MolecularWeight: 288.4078

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC(C[NH+]1C2=CC=CC=C2SC3=CC=CC=C31)O

Isomeric SMILES

C[NH2+]C[C@@H](C[NH+]1C2=CC=CC=C2SC3=CC=CC=C31)O

InChI

InChI=1S/C16H18N2OS/c1-17-10-12(19)11-18-13-6-2-4-8-15(13)20-16-9-5-3-7-14(16)18/h2-9,12,17,19H,10-11H2,1H3/p+2/t12-/m0/s1