N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(3,4,5-trimethoxyphenyl)acetamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-2-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-2-(3,4,5-trimethoxyphenyl)acetamide Formula: C23H37N2O4+ MolecularWeight: 405.55088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)NC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C23H36N2O4/c1-27-20-12-18(13-21(28-2)23(20)29-3)14-22(26)24-19-10-7-11-25(16-19)15-17-8-5-4-6-9-17/h12-13,17,19H,4-11,14-16H2,1-3H3,(H,24,26)/p+1/t19-/m0/s1