[(2R)-3-butanoyloxy-2-oxidanyl-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-prop-2-enyl-azanium

Systemtic Name: [(2R)-3-butanoyloxy-2-oxidanyl-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(1-benzylpyrrol-2-yl)methyl]-[(2R)-3-butanoyloxy-2-hydroxy-propyl]ammonium CAS Name: [(2R)-2-hydroxy-3-(1-oxobutoxy)propyl]-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-prop-2-enylammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-3-butanoyloxy-2-hydroxypropyl]-prop-2-enylazanium Traditional Name: allyl-[(1-benzylpyrrol-2-yl)methyl]-[(2R)-3-butyryloxy-2-hydroxy-propyl]ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-3-9-22(26)27-18-21(25)17-23(13-4-2)16-20-12-8-14-24(20)15-19-10-6-5-7-11-19/h4-8,10-12,14,21,25H,2-3,9,13,15-18H2,1H3/p+1/t21-/m1/s1