2-(4-chlorophenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole

Systemtic Name: 2-(4-chlorophenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole Openeye Name: 2-(4-chlorophenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole CAS Name: 2-(4-chlorophenyl)-5-(1-piperidin-1-iumylmethyl)-1,3-benzoxazole IUPAC Name: 2-(4-chlorophenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole Traditional Name: 2-(4-chlorophenyl)-5-(piperidin-1-ium-1-ylmethyl)-1,3-benzoxazole Formula: C19H20ClN2O+ MolecularWeight: 327.8279

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H19ClN2O/c20-16-7-5-15(6-8-16)19-21-17-12-14(4-9-18(17)23-19)13-22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2/p+1