(2S)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-N-pentan-3-yl-propanamide

Systemtic Name: (2S)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-N-pentan-3-yl-propanamide Openeye Name: (2S)-N-(1-ethylpropyl)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]propanamide CAS Name: (2S)-2-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-N-pentan-3-ylpropanamide IUPAC Name: (2S)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-N-pentan-3-ylpropanamide Traditional Name: (2S)-N-(1-ethylpropyl)-2-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]propionamide Formula: C17H36N3O+ MolecularWeight: 298.48724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C(C)NCCC[NH+]1CCCCC1C

Isomeric SMILES

CCC(CC)NC(=O)[C@H](C)NCCC[NH+]1CCCC[C@@H]1C

InChI

InChI=1S/C17H35N3O/c1-5-16(6-2)19-17(21)15(4)18-11-9-13-20-12-8-7-10-14(20)3/h14-16,18H,5-13H2,1-4H3,(H,19,21)/p+1/t14-,15-/m0/s1