3-[[(2S)-2-(dimethylazaniumyl)-2-(4-methoxyphenyl)ethyl]azaniumyl]propanoate

Systemtic Name: 3-[[(2S)-2-(dimethylazaniumyl)-2-(4-methoxyphenyl)ethyl]azaniumyl]propanoate Openeye Name: 3-[[(2S)-2-(dimethylammonio)-2-(4-methoxyphenyl)ethyl]ammonio]propanoate CAS Name: 3-[[(2S)-2-(dimethylammonio)-2-(4-methoxyphenyl)ethyl]ammonio]propanoate IUPAC Name: 3-[[(2S)-2-(dimethylazaniumyl)-2-(4-methoxyphenyl)ethyl]azaniumyl]propanoate Traditional Name: 3-[[(2S)-2-(dimethylammonio)-2-(4-methoxyphenyl)ethyl]ammonio]propionate Formula: C14H23N2O3+ MolecularWeight: 267.34402

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(C[NH2+]CCC(=O)[O-])C1=CC=C(C=C1)OC

Isomeric SMILES

C[NH+](C)[C@H](C[NH2+]CCC(=O)[O-])C1=CC=C(C=C1)OC

InChI

InChI=1S/C14H22N2O3/c1-16(2)13(10-15-9-8-14(17)18)11-4-6-12(19-3)7-5-11/h4-7,13,15H,8-10H2,1-3H3,(H,17,18)/p+1/t13-/m1/s1