methyl (2S)-2-[[1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate

Systemtic Name: methyl (2S)-2-[[1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2-phenyl-ethanoate Openeye Name: methyl (2S)-2-[[1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetate CAS Name: (2S)-2-[[[1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-2-phenylacetic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2-phenylacetate Traditional Name: (2S)-2-[[1-(3,5-ditert-butyl-4-hydroxy-benzyl)piperidin-1-ium-4-carbonyl]amino]-2-phenyl-acetic acid methyl ester Formula: C30H43N2O4+ MolecularWeight: 495.67342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCC(CC2)C(=O)NC(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[NH+]2CCC(CC2)C(=O)N[C@@H](C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C30H42N2O4/c1-29(2,3)23-17-20(18-24(26(23)33)30(4,5)6)19-32-15-13-22(14-16-32)27(34)31-25(28(35)36-7)21-11-9-8-10-12-21/h8-12,17-18,22,25,33H,13-16,19H2,1-7H3,(H,31,34)/p+1/t25-/m0/s1