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

Systemtic Name: 3-methoxypropyl-[(2R)-2-methyl-1-oxidanyl-but-3-en-2-yl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-[(1R)-1-(hydroxymethyl)-1-methyl-allyl]-(3-methoxypropyl)ammonium CAS Name: [(2R)-1-hydroxy-2-methylbut-3-en-2-yl]-(3-methoxypropyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-1-hydroxy-2-methylbut-3-en-2-yl]-(3-methoxypropyl)azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-(3-methoxypropyl)-[(1R)-1-methyl-1-methylol-allyl]ammonium Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C=C)[NH+](CCCOC)CC1=CC=CN1CC2=CC=CC=C2

Isomeric SMILES

C[C@](CO)(C=C)[NH+](CCCOC)CC1=CC=CN1CC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O2/c1-4-21(2,18-24)23(14-9-15-25-3)17-20-12-8-13-22(20)16-19-10-6-5-7-11-19/h4-8,10-13,24H,1,9,14-18H2,2-3H3/p+1/t21-/m1/s1