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

Systemtic Name: [(2S)-3-butanoyloxy-2-oxidanyl-propyl]-cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: [(2S)-3-butanoyloxy-2-hydroxy-propyl]-cyclopropyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclopropyl-[(2S)-2-hydroxy-3-(1-oxobutoxy)propyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: [(2S)-3-butanoyloxy-2-hydroxypropyl]-cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: [(2S)-3-butyryloxy-2-hydroxy-propyl]-cyclopropyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(C[NH+](CC1=CC=CN1CC2=CC=CC=C2C)C3CC3)O

Isomeric SMILES

CCCC(=O)OC[C@H](C[NH+](CC1=CC=CN1CC2=CC=CC=C2C)C3CC3)O

InChI

InChI=1S/C23H32N2O3/c1-3-7-23(27)28-17-22(26)16-25(20-11-12-20)15-21-10-6-13-24(21)14-19-9-5-4-8-18(19)2/h4-6,8-10,13,20,22,26H,3,7,11-12,14-17H2,1-2H3/p+1/t22-/m0/s1