[(2S)-3-butanoyloxy-2-oxidanyl-propyl]-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl]-prop-2-enyl-azanium

Systemtic Name: [(2S)-3-butanoyloxy-2-oxidanyl-propyl]-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(2S)-3-butanoyloxy-2-hydroxy-propyl]-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: [1-[(4-tert-butylphenyl)methyl]-2-pyrrolyl]methyl-[(2S)-2-hydroxy-3-(1-oxobutoxy)propyl]-prop-2-enylammonium IUPAC Name: [(2S)-3-butanoyloxy-2-hydroxypropyl]-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl]-prop-2-enylazanium Traditional Name: allyl-[[1-(4-tert-butylbenzyl)pyrrol-2-yl]methyl]-[(2S)-3-butyryloxy-2-hydroxy-propyl]ammonium Formula: C26H39N2O3+ MolecularWeight: 427.59946

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(C[NH+](CC=C)CC1=CC=CN1CC2=CC=C(C=C2)C(C)(C)C)O

Isomeric SMILES

CCCC(=O)OC[C@H](C[NH+](CC=C)CC1=CC=CN1CC2=CC=C(C=C2)C(C)(C)C)O

InChI

InChI=1S/C26H38N2O3/c1-6-9-25(30)31-20-24(29)19-27(15-7-2)18-23-10-8-16-28(23)17-21-11-13-22(14-12-21)26(3,4)5/h7-8,10-14,16,24,29H,2,6,9,15,17-20H2,1,3-5H3/p+1/t24-/m0/s1