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

Systemtic Name: [(2R)-2-oxidanyl-3-phenylmethoxy-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(2R)-3-benzyloxy-2-hydroxy-propyl]-[(1-benzylpyrrol-2-yl)methyl]ammonium CAS Name: [(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-prop-2-enylammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-prop-2-enylazanium Traditional Name: allyl-[(2R)-3-benzoxy-2-hydroxy-propyl]-[(1-benzylpyrrol-2-yl)methyl]ammonium Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O2/c1-2-15-26(19-25(28)21-29-20-23-12-7-4-8-13-23)18-24-14-9-16-27(24)17-22-10-5-3-6-11-22/h2-14,16,25,28H,1,15,17-21H2/p+1/t25-/m1/s1