N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)ethanamide

Systemtic Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)ethanamide Openeye Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide CAS Name: N-[[(3S)-1-[(1-ethyl-2-imidazolyl)methyl]-3-piperidin-1-iumyl]methyl]-2-(2-methoxyphenoxy)acetamide IUPAC Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide Traditional Name: N-[[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCCC(C2)CNC(=O)COC3=CC=CC=C3OC

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC[C@H](C2)CNC(=O)COC3=CC=CC=C3OC

InChI

InChI=1S/C21H30N4O3/c1-3-25-12-10-22-20(25)15-24-11-6-7-17(14-24)13-23-21(26)16-28-19-9-5-4-8-18(19)27-2/h4-5,8-10,12,17H,3,6-7,11,13-16H2,1-2H3,(H,23,26)/p+1/t17-/m0/s1