2-[(3-chlorophenyl)methyl]-N-(1-methylpiperidin-1-ium-4-yl)-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methyl]-N-(1-methylpiperidin-1-ium-4-yl)-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(3-chlorophenyl)methyl]-N-(1-methylpiperidin-1-ium-4-yl)-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(3-chlorophenyl)methyl]-N-(1-methyl-4-piperidin-1-iumyl)-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(3-chlorophenyl)methyl]-N-(1-methylpiperidin-1-ium-4-yl)-1,3-benzoxazole-6-carboxamide Traditional Name: 2-(3-chlorobenzyl)-N-(1-methylpiperidin-1-ium-4-yl)-1,3-benzoxazole-6-carboxamide Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)NC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C[NH+]1CCC(CC1)NC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-25-9-7-17(8-10-25)23-21(26)15-5-6-18-19(13-15)27-20(24-18)12-14-3-2-4-16(22)11-14/h2-6,11,13,17H,7-10,12H2,1H3,(H,23,26)/p+1