3-[[2-[ethyl(3-sulfopropyl)amino]-10H-phenoxazin-5-ium-1-yl]-methyl-amino]propanoic acid

Systemtic Name: 3-[[2-[ethyl(3-sulfopropyl)amino]-10H-phenoxazin-5-ium-1-yl]-methyl-amino]propanoic acid Openeye Name: 3-[[2-[ethyl(3-sulfopropyl)amino]-10H-phenoxazin-5-ium-1-yl]-methyl-amino]propanoic acid CAS Name: 3-[[2-[ethyl(3-sulfopropyl)amino]-10H-phenoxazin-5-ium-1-yl]-methylamino]propanoic acid IUPAC Name: 3-[[2-[ethyl(3-sulfopropyl)amino]-10H-phenoxazin-5-ium-1-yl]-methylamino]propanoic acid Traditional Name: 3-[[2-[ethyl(3-sulfopropyl)amino]-10H-phenoxazin-5-ium-1-yl]-methyl-amino]propionic acid Formula: C21H28N3O6S+ MolecularWeight: 450.52852

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCS(=O)(=O)O)C1=C(C2=C(C=C1)[OH+]C3=CC=CC=C3N2)N(C)CCC(=O)O

Isomeric SMILES

CCN(CCCS(=O)(=O)O)C1=C(C2=C(C=C1)[OH+]C3=CC=CC=C3N2)N(C)CCC(=O)O

InChI

InChI=1S/C21H27N3O6S/c1-3-24(12-6-14-31(27,28)29)16-9-10-18-20(21(16)23(2)13-11-19(25)26)22-15-7-4-5-8-17(15)30-18/h4-5,7-10,22H,3,6,11-14H2,1-2H3,(H,25,26)(H,27,28,29)/p+1