5-chloranyl-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 5-chloranyl-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-chloro-1,3-benzoxazol-2-one CAS Name: 5-chloro-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-chloro-1,3-benzoxazol-2-one Traditional Name: 3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-chloro-1,3-benzoxazol-2-one Formula: C20H22ClN2O2+ MolecularWeight: 357.85388

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C4=C(C=CC(=C4)Cl)OC3=O

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CN3C4=C(C=CC(=C4)Cl)OC3=O

InChI

InChI=1S/C20H21ClN2O2/c21-17-6-7-19-18(13-17)23(20(24)25-19)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2/p+1