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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(C[NH+](CC1=CC=CN1CC2=CC=C(C=C2)C(C)(C)C)C3CC3)O

Isomeric SMILES

CCCC(=O)OC[C@H](C[NH+](CC1=CC=CN1CC2=CC=C(C=C2)C(C)(C)C)C3CC3)O

InChI

InChI=1S/C26H38N2O3/c1-5-7-25(30)31-19-24(29)18-28(22-13-14-22)17-23-8-6-15-27(23)16-20-9-11-21(12-10-20)26(2,3)4/h6,8-12,15,22,24,29H,5,7,13-14,16-19H2,1-4H3/p+1/t24-/m0/s1