2-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide

Systemtic Name: 2-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[(3R)-3-(hydroxymethyl)-1-piperidin-1-iumyl]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[(3R)-3-methylolpiperidin-1-ium-1-yl]-N-[(2S)-2-phenylbutyl]acetamide Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C[NH+]1CCCC(C1)CO)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)C[NH+]1CCC[C@H](C1)CO)C2=CC=CC=C2

InChI

InChI=1S/C18H28N2O2/c1-2-16(17-8-4-3-5-9-17)11-19-18(22)13-20-10-6-7-15(12-20)14-21/h3-5,8-9,15-16,21H,2,6-7,10-14H2,1H3,(H,19,22)/p+1/t15-,16-/m1/s1