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

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(2-methoxyphenoxy)ethanamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(2-methoxyphenoxy)acetamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-2-(2-methoxyphenoxy)acetamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(2-methoxyphenoxy)acetamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(2-methoxyphenoxy)acetamide Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(=O)NC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1OCC(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C21H32N2O3/c1-25-19-11-5-6-12-20(19)26-16-21(24)22-18-10-7-13-23(15-18)14-17-8-3-2-4-9-17/h5-6,11-12,17-18H,2-4,7-10,13-16H2,1H3,(H,22,24)/p+1/t18-/m0/s1