[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-(2-oxidanyl-3-phenothiazin-10-yl-propyl)azanium

Systemtic Name: [2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]-(2-oxidanyl-3-phenothiazin-10-yl-propyl)azanium Openeye Name: [2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-(2-hydroxy-3-phenothiazin-10-yl-propyl)ammonium CAS Name: [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-[2-hydroxy-3-(10-phenothiazinyl)propyl]ammonium IUPAC Name: [1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-(2-hydroxy-3-phenothiazin-10-ylpropyl)azanium Traditional Name: (2-hydroxy-1,1-dimethylol-ethyl)-(2-hydroxy-3-phenothiazin-10-yl-propyl)ammonium Formula: C19H25N2O4S+ MolecularWeight: 377.4778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(C[NH2+]C(CO)(CO)CO)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CC(C[NH2+]C(CO)(CO)CO)O

InChI

InChI=1S/C19H24N2O4S/c22-11-19(12-23,13-24)20-9-14(25)10-21-15-5-1-3-7-17(15)26-18-8-4-2-6-16(18)21/h1-8,14,20,22-25H,9-13H2/p+1