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

Systemtic Name: 6-chloranyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 6-chloro-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 6-chloro-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 6-chloro-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 6-chloro-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C14H18ClN2O2+ MolecularWeight: 281.75792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O2/c1-10-3-2-6-16(8-10)9-17-12-5-4-11(15)7-13(12)19-14(17)18/h4-5,7,10H,2-3,6,8-9H2,1H3/p+1/t10-/m0/s1