N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-chlorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-chlorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Openeye Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-chlorophenyl)ethyl]-5-phenyl-isoxazole-3-carboxamide CAS Name: N-[(2R)-2-(1-azepan-1-iumyl)-2-(4-chlorophenyl)ethyl]-5-phenyl-3-isoxazolecarboxamide IUPAC Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-chlorophenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide Traditional Name: N-[(2R)-2-(azepan-1-ium-1-yl)-2-(4-chlorophenyl)ethyl]-5-phenyl-isoxazole-3-carboxamide Formula: C24H27ClN3O2+ MolecularWeight: 424.94308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H26ClN3O2/c25-20-12-10-18(11-13-20)22(28-14-6-1-2-7-15-28)17-26-24(29)21-16-23(30-27-21)19-8-4-3-5-9-19/h3-5,8-13,16,22H,1-2,6-7,14-15,17H2,(H,26,29)/p+1/t22-/m0/s1