3-(1-ethyl-2-methyl-imidazo[4,5-b]acridin-3-ium-3-yl)propane-1-sulfonate

Systemtic Name: 3-(1-ethyl-2-methyl-imidazo[4,5-b]acridin-3-ium-3-yl)propane-1-sulfonate Openeye Name: 3-(1-ethyl-2-methyl-imidazo[4,5-b]acridin-3-ium-3-yl)propane-1-sulfonate CAS Name: 3-(1-ethyl-2-methyl-3-imidazo[4,5-b]acridin-3-iumyl)-1-propanesulfonate IUPAC Name: 3-(1-ethyl-2-methylimidazo[4,5-b]acridin-3-ium-3-yl)propane-1-sulfonate Traditional Name: 3-(1-ethyl-2-methyl-imidaz[4,5-b]acridin-3-ium-3-yl)propane-1-sulfonate Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=CC3=NC4=CC=CC=C4C=C3C=C21)CCCS(=O)(=O)[O-])C

Isomeric SMILES

CCN1C(=[N+](C2=CC3=NC4=CC=CC=C4C=C3C=C21)CCCS(=O)(=O)[O-])C

InChI

InChI=1S/C20H21N3O3S/c1-3-22-14(2)23(9-6-10-27(24,25)26)20-13-18-16(12-19(20)22)11-15-7-4-5-8-17(15)21-18/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3