1-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)azaniumyl]oxy-2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propan-1-olate

Systemtic Name: 1-[(5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl)azaniumyl]oxy-2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propan-1-olate Openeye Name: 1-[(5-amino-6-hydroxy-6-oxo-hexyl)ammonio]oxy-2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propan-1-olate CAS Name: 1-[(5-amino-6-hydroxy-6-oxohexyl)ammonio]oxy-2-ethoxy-3-[4-[2-(10-phenothiazinyl)ethoxy]phenyl]-1-propanolate IUPAC Name: 1-[(5-amino-6-hydroxy-6-oxohexyl)azaniumyl]oxy-2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propan-1-olate Traditional Name: 1-[(5-amino-6-hydroxy-6-keto-hexyl)ammonio]oxy-2-ethoxy-3-[4-(2-phenothiazin-10-ylethoxy)phenyl]propan-1-olate Formula: C31H39N3O6S MolecularWeight: 581.72286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC4=CC=CC=C42)C([O-])O[NH2+]CCCCC(C(=O)O)N

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCN2C3=CC=CC=C3SC4=CC=CC=C42)C([O-])O[NH2+]CCCCC(C(=O)O)N

InChI

InChI=1S/C31H38N3O6S/c1-2-38-27(31(37)40-33-18-8-7-9-24(32)30(35)36)21-22-14-16-23(17-15-22)39-20-19-34-25-10-3-5-12-28(25)41-29-13-6-4-11-26(29)34/h3-6,10-17,24,27,31,33H,2,7-9,18-21,32H2,1H3,(H,35,36)/q-1/p+1