3-acetyloxy-2-methyl-2-[4-(2-methylpropyl)phenyl]-4-(trimethylazaniumyl)butanoate hydrochloride

Systemtic Name: 3-acetyloxy-2-methyl-2-[4-(2-methylpropyl)phenyl]-4-(trimethylazaniumyl)butanoate hydrochloride Openeye Name: 3-acetoxy-2-(4-isobutylphenyl)-2-methyl-4-(trimethylammonio)butanoate hydrochloride CAS Name: 3-acetyloxy-2-methyl-2-[4-(2-methylpropyl)phenyl]-4-(trimethylammonio)butanoate hydrochloride IUPAC Name: 3-acetyloxy-2-methyl-2-[4-(2-methylpropyl)phenyl]-4-(trimethylazaniumyl)butanoate hydrochloride Traditional Name: 3-acetoxy-2-(4-isobutylphenyl)-2-methyl-4-(trimethylammonio)butyrate hydrochloride Formula: C20H32ClNO4 MolecularWeight: 385.92538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO4.ClH/c1-14(2)12-16-8-10-17(11-9-16)20(4,19(23)24)18(25-15(3)22)13-21(5,6)7;/h8-11,14,18H,12-13H2,1-7H3;1H