4-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]amino]benzamide CAS Name: 4-[[(2S)-2-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanoyl]amino]benzamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C)C(=O)NC2=CC=C(C=C2)C(=O)N)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)[C@@H](C)C(=O)NC2=CC=C(C=C2)C(=O)N)C

InChI

InChI=1S/C17H25N3O2/c1-11-8-12(2)10-20(9-11)13(3)17(22)19-15-6-4-14(5-7-15)16(18)21/h4-7,11-13H,8-10H2,1-3H3,(H2,18,21)(H,19,22)/p+1/t11-,12-,13+/m1/s1