2-methoxyethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanyl-3-phenyl-propyl]azanium

Systemtic Name: 2-methoxyethyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanyl-3-phenyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-phenyl-propyl]-(2-methoxyethyl)-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(2S)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-phenylpropyl]-(2-methoxyethyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: [(2S)-2-hydroxy-3-phenyl-propyl]-(2-methoxyethyl)-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C25H33N2O2+ MolecularWeight: 393.54172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CCOC)CC(CC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CCOC)C[C@H](CC3=CC=CC=C3)O

InChI

InChI=1S/C25H32N2O2/c1-21-9-6-7-12-23(21)18-27-14-8-13-24(27)19-26(15-16-29-2)20-25(28)17-22-10-4-3-5-11-22/h3-14,25,28H,15-20H2,1-2H3/p+1/t25-/m0/s1