(2S)-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate

Systemtic Name: (2S)-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate Openeye Name: (2S)-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propanoate CAS Name: (2S)-3-[3-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-phenylpropanoate IUPAC Name: (2S)-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenylpropanoate Traditional Name: (2S)-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-propionate Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(C2=CC=CC=C2)C(=O)[O-])OCC[NH+]3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[C@@H](C2=CC=CC=C2)C(=O)[O-])OCC[NH+]3CCCCC3

InChI

InChI=1S/C24H31NO4/c1-2-28-23-18-19(17-21(24(26)27)20-9-5-3-6-10-20)11-12-22(23)29-16-15-25-13-7-4-8-14-25/h3,5-6,9-12,18,21H,2,4,7-8,13-17H2,1H3,(H,26,27)/t21-/m0/s1