6-methoxy-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-methoxy-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-methoxy-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-methoxy-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-methoxy-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-methoxy-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CN2C3=C(C=C(C=C3)OC)OC2=O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CN2C3=C(C=C(C=C3)OC)OC2=O

InChI

InChI=1S/C15H20N2O3/c1-11-4-3-7-16(9-11)10-17-13-6-5-12(19-2)8-14(13)20-15(17)18/h5-6,8,11H,3-4,7,9-10H2,1-2H3/p+1/t11-/m0/s1