[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-[(4-methoxycarbonylphenyl)methyl]-methyl-azanium

Systemtic Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-[(4-methoxycarbonylphenyl)methyl]-methyl-azanium Openeye Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-[(4-methoxycarbonylphenyl)methyl]-methyl-ammonium CAS Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-[(4-methoxycarbonylphenyl)methyl]-methylammonium IUPAC Name: [(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-[(4-methoxycarbonylphenyl)methyl]-methylazanium Traditional Name: [(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-(4-carbomethoxybenzyl)-methyl-ammonium Formula: C24H34NO4+ MolecularWeight: 400.53106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(C[NH+](C)CC2=CC=C(C=C2)C(=O)OC)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC[C@H](C[NH+](C)CC2=CC=C(C=C2)C(=O)OC)O

InChI

InChI=1S/C24H33NO4/c1-17-13-20(24(2,3)4)11-12-22(17)29-16-21(26)15-25(5)14-18-7-9-19(10-8-18)23(27)28-6/h7-13,21,26H,14-16H2,1-6H3/p+1/t21-/m0/s1