(2S)-2-(4-ethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-(4-ethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(4-ethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide CAS Name: (2S)-2-(4-ethylphenoxy)-N-(1-methyl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(4-ethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(4-ethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butyramide Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(CC)C(=O)NC2CC[NH+](CC2)C

Isomeric SMILES

CCC1=CC=C(C=C1)O[C@@H](CC)C(=O)NC2CC[NH+](CC2)C

InChI

InChI=1S/C18H28N2O2/c1-4-14-6-8-16(9-7-14)22-17(5-2)18(21)19-15-10-12-20(3)13-11-15/h6-9,15,17H,4-5,10-13H2,1-3H3,(H,19,21)/p+1/t17-/m0/s1