1-[(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-N-(1,3-benzodioxol-5-yl)piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(1R)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C21H25N4O5S+ MolecularWeight: 445.512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCC(CC2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O5S/c1-12(19(27)24-21-15(18(22)26)6-9-31-21)25-7-4-13(5-8-25)20(28)23-14-2-3-16-17(10-14)30-11-29-16/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3,(H2,22,26)(H,23,28)(H,24,27)/p+1/t12-/m1/s1