3-azaniumyl-3-(3-methoxy-4-propoxy-phenyl)propanoate

Systemtic Name: 3-azaniumyl-3-(3-methoxy-4-propoxy-phenyl)propanoate Openeye Name: 3-azaniumyl-3-(3-methoxy-4-propoxy-phenyl)propanoate CAS Name: 3-ammonio-3-(3-methoxy-4-propoxyphenyl)propanoate IUPAC Name: 3-azaniumyl-3-(3-methoxy-4-propoxyphenyl)propanoate Traditional Name: 3-ammonio-3-(3-methoxy-4-propoxy-phenyl)propionate Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(CC(=O)[O-])[NH3+])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(CC(=O)[O-])[NH3+])OC

InChI

InChI=1S/C13H19NO4/c1-3-6-18-11-5-4-9(7-12(11)17-2)10(14)8-13(15)16/h4-5,7,10H,3,6,8,14H2,1-2H3,(H,15,16)