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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-(4-chlorophenyl)isoxazole-3-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-5-(4-chlorophenyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-(4-chlorophenyl)isoxazole-3-carboxamide Formula: C22H25ClN3O2S+ MolecularWeight: 430.9708

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C2=NOC(=C2)C3=CC=C(C=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C22H24ClN3O2S/c23-17-9-7-16(8-10-17)20-14-18(25-28-20)22(27)24-15-19(21-6-5-13-29-21)26-11-3-1-2-4-12-26/h5-10,13-14,19H,1-4,11-12,15H2,(H,24,27)/p+1/t19-/m0/s1