2-[(4-chlorophenyl)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzoxazole-5-carboxamide

Systemtic Name: 2-[(4-chlorophenyl)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzoxazole-5-carboxamide Openeye Name: 2-[(4-chlorophenyl)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzoxazole-5-carboxamide CAS Name: 2-[(4-chlorophenyl)methyl]-N-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-[(4-chlorophenyl)methyl]-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzoxazole-5-carboxamide Traditional Name: 2-(4-chlorobenzyl)-N-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-1,3-benzoxazole-5-carboxamide Formula: C23H27ClN3O3+ MolecularWeight: 428.93178

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH+]1CCOCC1)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN(CCC[NH+]1CCOCC1)C(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClN3O3/c1-26(9-2-10-27-11-13-29-14-12-27)23(28)18-5-8-21-20(16-18)25-22(30-21)15-17-3-6-19(24)7-4-17/h3-8,16H,2,9-15H2,1H3/p+1