2-[1-[(2S)-2-azanyl-3-phenyl-propanoyl]oxy-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-pentanoate hydrochloride

Systemtic Name: 2-[1-[(2S)-2-azanyl-3-phenyl-propanoyl]oxy-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-pentanoate hydrochloride Openeye Name: 2-[1-[(2S)-2-amino-3-phenyl-propanoyl]oxy-2-(trimethylammonio)ethyl]-3-oxo-pentanoate hydrochloride CAS Name: 2-[1-[(2S)-2-amino-1-oxo-3-phenylpropoxy]-2-(trimethylammonio)ethyl]-3-oxopentanoate hydrochloride IUPAC Name: 2-[1-[(2S)-2-amino-3-phenylpropanoyl]oxy-2-(trimethylazaniumyl)ethyl]-3-oxopentanoate hydrochloride Traditional Name: 2-[1-[(2S)-2-amino-3-phenyl-propanoyl]oxy-2-(trimethylammonio)ethyl]-3-keto-valerate hydrochloride Formula: C19H29ClN2O5 MolecularWeight: 400.89696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C[N+](C)(C)C)OC(=O)C(CC1=CC=CC=C1)N)C(=O)[O-].Cl

Isomeric SMILES

CCC(=O)C(C(C[N+](C)(C)C)OC(=O)[C@H](CC1=CC=CC=C1)N)C(=O)[O-].Cl

InChI

InChI=1S/C19H28N2O5.ClH/c1-5-15(22)17(18(23)24)16(12-21(2,3)4)26-19(25)14(20)11-13-9-7-6-8-10-13;/h6-10,14,16-17H,5,11-12,20H2,1-4H3;1H/t14-,16?,17?;/m0./s1