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

Systemtic Name: cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanyl-3-phenyl-propyl]azanium Openeye Name: cyclopropyl-[(2S)-2-hydroxy-3-phenyl-propyl]-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclopropyl-[(2S)-2-hydroxy-3-phenylpropyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclopropyl-[(2S)-2-hydroxy-3-phenylpropyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclopropyl-[(2S)-2-hydroxy-3-phenyl-propyl]-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C25H31N2O+ MolecularWeight: 375.52644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC(CC3=CC=CC=C3)O)C4CC4

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](C[C@H](CC3=CC=CC=C3)O)C4CC4

InChI

InChI=1S/C25H30N2O/c1-20-8-5-6-11-22(20)17-26-15-7-12-24(26)18-27(23-13-14-23)19-25(28)16-21-9-3-2-4-10-21/h2-12,15,23,25,28H,13-14,16-19H2,1H3/p+1/t25-/m0/s1