2-[[(2S)-butan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]azaniumyl]ethanoate

Systemtic Name: 2-[[(2S)-butan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]azaniumyl]ethanoate Openeye Name: 2-[[(1S)-1-methylpropyl]-[(3,4,5-trimethoxyphenyl)methyl]ammonio]acetate CAS Name: 2-[[(2S)-butan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]ammonio]acetate IUPAC Name: 2-[[(2S)-butan-2-yl]-[(3,4,5-trimethoxyphenyl)methyl]azaniumyl]acetate Traditional Name: 2-[[(1S)-1-methylpropyl]-(3,4,5-trimethoxybenzyl)ammonio]acetate Formula: C16H25NO5 MolecularWeight: 311.3734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](CC1=CC(=C(C(=C1)OC)OC)OC)CC(=O)[O-]

Isomeric SMILES

CC[C@H](C)[NH+](CC1=CC(=C(C(=C1)OC)OC)OC)CC(=O)[O-]

InChI

InChI=1S/C16H25NO5/c1-6-11(2)17(10-15(18)19)9-12-7-13(20-3)16(22-5)14(8-12)21-4/h7-8,11H,6,9-10H2,1-5H3,(H,18,19)/t11-/m0/s1