[4-(1,3-benzoxazol-2-yl)-2-(morpholin-4-ium-4-ylmethyl)phenyl] methanesulfonate

Systemtic Name: [4-(1,3-benzoxazol-2-yl)-2-(morpholin-4-ium-4-ylmethyl)phenyl] methanesulfonate Openeye Name: [4-(1,3-benzoxazol-2-yl)-2-(morpholin-4-ium-4-ylmethyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-(1,3-benzoxazol-2-yl)-2-(4-morpholin-4-iumylmethyl)phenyl] ester IUPAC Name: [4-(1,3-benzoxazol-2-yl)-2-(morpholin-4-ium-4-ylmethyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-(1,3-benzoxazol-2-yl)-2-(morpholin-4-ium-4-ylmethyl)phenyl] ester Formula: C19H21N2O5S+ MolecularWeight: 389.44544

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)C[NH+]4CCOCC4

Isomeric SMILES

CS(=O)(=O)OC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)C[NH+]4CCOCC4

InChI

InChI=1S/C19H20N2O5S/c1-27(22,23)26-17-7-6-14(12-15(17)13-21-8-10-24-11-9-21)19-20-16-4-2-3-5-18(16)25-19/h2-7,12H,8-11,13H2,1H3/p+1