N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)ethanamide

Systemtic Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)ethanamide Openeye Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide CAS Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-piperidin-1-iumyl]methyl]-2-(2-methoxyphenoxy)acetamide IUPAC Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide Traditional Name: N-[[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide Formula: C23H35N4O3+ MolecularWeight: 415.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1)C[NH+]2CCCC(C2)CNC(=O)COC3=CC=CC=C3OC

Isomeric SMILES

CCCCC1=NC=C(N1)C[NH+]2CCC[C@@H](C2)CNC(=O)COC3=CC=CC=C3OC

InChI

InChI=1S/C23H34N4O3/c1-3-4-11-22-24-14-19(26-22)16-27-12-7-8-18(15-27)13-25-23(28)17-30-21-10-6-5-9-20(21)29-2/h5-6,9-10,14,18H,3-4,7-8,11-13,15-17H2,1-2H3,(H,24,26)(H,25,28)/p+1/t18-/m1/s1