2-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2S)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)C(=O)NC2=C(C=CS2)C(=O)N)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)[C@@H](C)C(=O)NC2=C(C=CS2)C(=O)N)C

InChI

InChI=1S/C15H23N3O2S/c1-9-6-10(2)8-18(7-9)11(3)14(20)17-15-12(13(16)19)4-5-21-15/h4-5,9-11H,6-8H2,1-3H3,(H2,16,19)(H,17,20)/p+1/t9-,10-,11+/m1/s1