3-(9-butyl-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(9-butyl-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonic acid Openeye Name: 3-(9-butyl-2-methyl-oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonic acid CAS Name: 3-(9-butyl-2-methyl-3-oxazolo[5,4-b]carbazol-3-iumyl)-1-propanesulfonic acid IUPAC Name: 3-(9-butyl-2-methyl-[1,3]oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonic acid Traditional Name: 3-(9-butyl-2-methyl-oxazolo[5,4-b]carbazol-3-ium-3-yl)propane-1-sulfonic acid Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C3=CC4=C(C=C31)OC(=[N+]4CCCS(=O)(=O)O)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2C3=CC4=C(C=C31)OC(=[N+]4CCCS(=O)(=O)O)C

InChI

InChI=1S/C21H24N2O4S/c1-3-4-10-23-18-9-6-5-8-16(18)17-13-20-21(14-19(17)23)27-15(2)22(20)11-7-12-28(24,25)26/h5-6,8-9,13-14H,3-4,7,10-12H2,1-2H3/p+1