(2S)-N-(5-azanyl-2-methyl-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(5-azanyl-2-methyl-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(5-amino-2-methylphenyl)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-amino-2-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C17H28N3O+ MolecularWeight: 290.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-11-7-12(2)10-20(9-11)14(4)17(21)19-16-8-15(18)6-5-13(16)3/h5-6,8,11-12,14H,7,9-10,18H2,1-4H3,(H,19,21)/p+1/t11-,12-,14-/m0/s1