2-(3,4-dimethoxyphenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H30N2O3/c1-27-21-11-10-19(15-22(21)28-2)16-23(26)24-20-9-6-13-25(17-20)14-12-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,20H,6,9,12-14,16-17H2,1-2H3,(H,24,26)/p+1/t20-/m0/s1