4-ethyl-5-methyl-2-[2-[4-oxidanyl-4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 4-ethyl-5-methyl-2-[2-[4-oxidanyl-4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(4-benzyl-4-hydroxy-piperidin-1-ium-1-yl)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide CAS Name: 4-ethyl-2-[[2-[4-hydroxy-4-(phenylmethyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-(4-benzyl-4-hydroxypiperidin-1-ium-1-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide Traditional Name: 2-[[2-(4-benzyl-4-hydroxy-piperidin-1-ium-1-yl)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=O)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)O)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=O)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)O)C

InChI

InChI=1S/C22H29N3O3S/c1-3-17-15(2)29-21(19(17)20(23)27)24-18(26)14-25-11-9-22(28,10-12-25)13-16-7-5-4-6-8-16/h4-8,28H,3,9-14H2,1-2H3,(H2,23,27)(H,24,26)/p+1