N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-methylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-methylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-methylphenoxy)acetamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(4-methylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-2-(4-methylphenoxy)acetamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(4-methylphenoxy)acetamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NC[C@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3

InChI

InChI=1S/C23H30N2O3/c1-18-6-10-21(11-7-18)28-17-23(26)24-16-22(25-14-4-3-5-15-25)19-8-12-20(27-2)13-9-19/h6-13,22H,3-5,14-17H2,1-2H3,(H,24,26)/p+1/t22-/m1/s1