[3-[(5-chloranylthiophen-2-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl-methyl-(phenylmethyl)azanium

Systemtic Name: [3-[(5-chloranylthiophen-2-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[3-[(5-chloro-2-thienyl)methylcarbamoyl]isoxazol-5-yl]methyl]-methyl-ammonium CAS Name: [3-[[(5-chloro-2-thiophenyl)methylamino]-oxomethyl]-5-isoxazolyl]methyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[3-[(5-chlorothiophen-2-yl)methylcarbamoyl]-1,2-oxazol-5-yl]methyl]-methylazanium Traditional Name: benzyl-[[3-[(5-chloro-2-thienyl)methylcarbamoyl]isoxazol-5-yl]methyl]-methyl-ammonium Formula: C18H19ClN3O2S+ MolecularWeight: 376.88036

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NCC3=CC=C(S3)Cl

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=NO2)C(=O)NCC3=CC=C(S3)Cl

InChI

InChI=1S/C18H18ClN3O2S/c1-22(11-13-5-3-2-4-6-13)12-14-9-16(21-24-14)18(23)20-10-15-7-8-17(19)25-15/h2-9H,10-12H2,1H3,(H,20,23)/p+1