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

Systemtic Name: 3-methoxypropyl-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: [(2R)-3-allyloxy-2-hydroxy-propyl]-[(1-benzylpyrrol-2-yl)methyl]-(3-methoxypropyl)ammonium CAS Name: [(2R)-2-hydroxy-3-prop-2-enoxypropyl]-(3-methoxypropyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-(3-methoxypropyl)azanium Traditional Name: [(2R)-3-allyloxy-2-hydroxy-propyl]-[(1-benzylpyrrol-2-yl)methyl]-(3-methoxypropyl)ammonium Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH+](CC1=CC=CN1CC2=CC=CC=C2)CC(COCC=C)O

Isomeric SMILES

COCCC[NH+](CC1=CC=CN1CC2=CC=CC=C2)C[C@H](COCC=C)O

InChI

InChI=1S/C22H32N2O3/c1-3-14-27-19-22(25)18-23(12-8-15-26-2)17-21-11-7-13-24(21)16-20-9-5-4-6-10-20/h3-7,9-11,13,22,25H,1,8,12,14-19H2,2H3/p+1/t22-/m1/s1