ethylamino 5-phenylspiro[2H-1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]-2'-sulfonate

Systemtic Name: ethylamino 5-phenylspiro[2H-1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]-2'-sulfonate Openeye Name: ethylamino 5-phenylspiro[2H-1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]-2'-sulfonate CAS Name: 5-phenyl-2'-spiro[2H-1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]sulfonic acid ethylamino ester IUPAC Name: ethylamino 5-phenylspiro[2H-1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]-2'-sulfonate Traditional Name: 5-phenylspiro[2H-1,3-benzoxazol-3-ium-3,1'-azolidin-1-ium]-2'-sulfonic acid ethylamino ester Formula: C19H23N2O4S+ MolecularWeight: 375.46192

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Descriptors Computed from Structure

Canonical SMILES:

CCNOS(=O)(=O)C1CCC[N+]12COC3=C2C=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCNOS(=O)(=O)C1CCC[N+]12COC3=C2C=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H23N2O4S/c1-2-20-25-26(22,23)19-9-6-12-21(19)14-24-18-11-10-16(13-17(18)21)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,19-20H,2,6,9,12,14H2,1H3/q+1