(3S)-3-azaniumyl-3-(4-hexoxy-3-methoxy-phenyl)propanoate

Systemtic Name: (3S)-3-azaniumyl-3-(4-hexoxy-3-methoxy-phenyl)propanoate Openeye Name: (3S)-3-azaniumyl-3-(4-hexoxy-3-methoxy-phenyl)propanoate CAS Name: (3S)-3-ammonio-3-(4-hexoxy-3-methoxyphenyl)propanoate IUPAC Name: (3S)-3-azaniumyl-3-(4-hexoxy-3-methoxyphenyl)propanoate Traditional Name: (3S)-3-ammonio-3-(4-hexoxy-3-methoxy-phenyl)propionate Formula: C16H25NO4 MolecularWeight: 295.374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(CC(=O)[O-])[NH3+])OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)[C@H](CC(=O)[O-])[NH3+])OC

InChI

InChI=1S/C16H25NO4/c1-3-4-5-6-9-21-14-8-7-12(10-15(14)20-2)13(17)11-16(18)19/h7-8,10,13H,3-6,9,11,17H2,1-2H3,(H,18,19)/t13-/m0/s1