N-(4-acetamido-2-chloranyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-acetamido-2-chloranyl-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-acetamido-2-chloro-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(4-acetamido-2-chlorophenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-acetamido-2-chlorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetamido-2-chloro-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C16H23ClN3O2+ MolecularWeight: 324.82572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C=C(C=C2)NC(=O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O2/c1-11-4-3-7-20(9-11)10-16(22)19-15-6-5-13(8-14(15)17)18-12(2)21/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,18,21)(H,19,22)/p+1/t11-/m0/s1