(2S)-N-(3-cyanothiophen-2-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-cyanothiophen-2-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-cyano-2-thienyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-cyano-2-thiophenyl)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-cyanothiophen-2-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-cyano-2-thienyl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C15H22N3OS+ MolecularWeight: 292.41968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3OS/c1-10-6-11(2)9-18(8-10)12(3)14(19)17-15-13(7-16)4-5-20-15/h4-5,10-12H,6,8-9H2,1-3H3,(H,17,19)/p+1/t10-,11-,12+/m1/s1