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

Systemtic Name: 3-methoxypropyl-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: [(2R)-3-benzyloxy-2-hydroxy-propyl]-[(1-benzylpyrrol-2-yl)methyl]-(3-methoxypropyl)ammonium CAS Name: [(2R)-2-hydroxy-3-phenylmethoxypropyl]-(3-methoxypropyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-(3-methoxypropyl)azanium Traditional Name: [(2R)-3-benzoxy-2-hydroxy-propyl]-[(1-benzylpyrrol-2-yl)methyl]-(3-methoxypropyl)ammonium Formula: C26H35N2O3+ MolecularWeight: 423.5677

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Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH+](CC1=CC=CN1CC2=CC=CC=C2)CC(COCC3=CC=CC=C3)O

Isomeric SMILES

COCCC[NH+](CC1=CC=CN1CC2=CC=CC=C2)C[C@H](COCC3=CC=CC=C3)O

InChI

InChI=1S/C26H34N2O3/c1-30-17-9-15-27(20-26(29)22-31-21-24-12-6-3-7-13-24)19-25-14-8-16-28(25)18-23-10-4-2-5-11-23/h2-8,10-14,16,26,29H,9,15,17-22H2,1H3/p+1/t26-/m1/s1