3-(5-indol-1-yl-2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonic acid

Systemtic Name: 3-(5-indol-1-yl-2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonic acid Openeye Name: 3-(5-indol-1-yl-2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonic acid CAS Name: 3-[5-(1-indolyl)-2-methyl-1,3-benzoxazol-3-ium-3-yl]-1-propanesulfonic acid IUPAC Name: 3-(5-indol-1-yl-2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonic acid Traditional Name: 3-(5-indol-1-yl-2-methyl-1,3-benzoxazol-3-ium-3-yl)propane-1-sulfonic acid Formula: C19H19N2O4S+ MolecularWeight: 371.43016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(O1)C=CC(=C2)N3C=CC4=CC=CC=C43)CCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C(O1)C=CC(=C2)N3C=CC4=CC=CC=C43)CCCS(=O)(=O)O

InChI

InChI=1S/C19H18N2O4S/c1-14-20(10-4-12-26(22,23)24)18-13-16(7-8-19(18)25-14)21-11-9-15-5-2-3-6-17(15)21/h2-3,5-9,11,13H,4,10,12H2,1H3/p+1