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

Systemtic Name: (2S)-N-(5-azanyl-2-methyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(5-amino-2-methylphenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-amino-2-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H26N3O+ MolecularWeight: 276.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C)C(=O)NC2=C(C=CC(=C2)N)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O/c1-11-7-8-14(17)10-15(11)18-16(20)13(3)19-9-5-4-6-12(19)2/h7-8,10,12-13H,4-6,9,17H2,1-3H3,(H,18,20)/p+1/t12-,13-/m0/s1