(4R)-4-azaniumyl-4-(3,4-dipropoxyphenyl)butanoate

Systemtic Name: (4R)-4-azaniumyl-4-(3,4-dipropoxyphenyl)butanoate Openeye Name: (4R)-4-azaniumyl-4-(3,4-dipropoxyphenyl)butanoate CAS Name: (4R)-4-ammonio-4-(3,4-dipropoxyphenyl)butanoate IUPAC Name: (4R)-4-azaniumyl-4-(3,4-dipropoxyphenyl)butanoate Traditional Name: (4R)-4-ammonio-4-(3,4-dipropoxyphenyl)butyrate Formula: C16H25NO4 MolecularWeight: 295.374

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(CCC(=O)[O-])[NH3+])OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@@H](CCC(=O)[O-])[NH3+])OCCC

InChI

InChI=1S/C16H25NO4/c1-3-9-20-14-7-5-12(11-15(14)21-10-4-2)13(17)6-8-16(18)19/h5,7,11,13H,3-4,6,8-10,17H2,1-2H3,(H,18,19)/t13-/m1/s1