2-[(3-chlorophenyl)methyl]-N-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methyl]-N-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(3-chlorophenyl)methyl]-N-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(3-chlorophenyl)methyl]-N-methyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(3-chlorophenyl)methyl]-N-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1,3-benzoxazole-6-carboxamide Traditional Name: 2-(3-chlorobenzyl)-N-methyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)-1,3-benzoxazole-6-carboxamide Formula: C23H27ClN3O2+ MolecularWeight: 412.93238

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC[NH+]1CCCC1)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CN(CCC[NH+]1CCCC1)C(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H26ClN3O2/c1-26(10-5-13-27-11-2-3-12-27)23(28)18-8-9-20-21(16-18)29-22(25-20)15-17-6-4-7-19(24)14-17/h4,6-9,14,16H,2-3,5,10-13,15H2,1H3/p+1