3-[9-[4-[2-(2-azanylethoxy)ethylcarbamoyl]-2,6-dimethyl-phenoxy]carbonylacridin-10-ium-10-yl]propane-1-sulfonate

Systemtic Name: 3-[9-[4-[2-(2-azanylethoxy)ethylcarbamoyl]-2,6-dimethyl-phenoxy]carbonylacridin-10-ium-10-yl]propane-1-sulfonate Openeye Name: 3-[9-[4-[2-(2-aminoethoxy)ethylcarbamoyl]-2,6-dimethyl-phenoxy]carbonylacridin-10-ium-10-yl]propane-1-sulfonate CAS Name: 3-[9-[[4-[[2-(2-aminoethoxy)ethylamino]-oxomethyl]-2,6-dimethylphenoxy]-oxomethyl]-10-acridin-10-iumyl]-1-propanesulfonate IUPAC Name: 3-[9-[4-[2-(2-aminoethoxy)ethylcarbamoyl]-2,6-dimethylphenoxy]carbonylacridin-10-ium-10-yl]propane-1-sulfonate Traditional Name: 3-[9-[4-[2-(2-aminoethoxy)ethylcarbamoyl]-2,6-dimethyl-phenoxy]carbonylacridin-10-ium-10-yl]propane-1-sulfonate Formula: C30H33N3O7S MolecularWeight: 579.66392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)[O-])C)C(=O)NCCOCCN

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)[O-])C)C(=O)NCCOCCN

InChI

InChI=1S/C30H33N3O7S/c1-20-18-22(29(34)32-13-16-39-15-12-31)19-21(2)28(20)40-30(35)27-23-8-3-5-10-25(23)33(14-7-17-41(36,37)38)26-11-6-4-9-24(26)27/h3-6,8-11,18-19H,7,12-17,31H2,1-2H3,(H-,32,34,36,37,38)