1-[[5-[2-(dimethylazaniumyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxylate

Systemtic Name: 1-[[5-[2-(dimethylazaniumyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxylate Openeye Name: 1-[5-[2-(dimethylammonio)vinyl]-3-methyl-isoxazol-4-yl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[[5-[2-(dimethylammonio)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-4-piperidinecarboxylate IUPAC Name: 1-[[5-[2-(dimethylazaniumyl)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxylate Traditional Name: 1-[5-[2-(dimethylammonio)vinyl]-3-methyl-isoxazol-4-yl]sulfonylisonipecotate Formula: C14H21N3O5S MolecularWeight: 343.39864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)[O-])C=C[NH+](C)C

Isomeric SMILES

CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)[O-])C=C[NH+](C)C

InChI

InChI=1S/C14H21N3O5S/c1-10-13(12(22-15-10)6-7-16(2)3)23(20,21)17-8-4-11(5-9-17)14(18)19/h6-7,11H,4-5,8-9H2,1-3H3,(H,18,19)