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

Systemtic Name: cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanyl-3-phenoxy-propyl]azanium Openeye Name: cyclopropyl-[(2R)-2-hydroxy-3-phenoxy-propyl]-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclopropyl-[(2R)-2-hydroxy-3-phenoxypropyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclopropyl-[(2R)-2-hydroxy-3-phenoxypropyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclopropyl-[(2R)-2-hydroxy-3-phenoxy-propyl]-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C25H31N2O2+ MolecularWeight: 391.52584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC(COC3=CC=CC=C3)O)C4CC4

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](C[C@H](COC3=CC=CC=C3)O)C4CC4

InChI

InChI=1S/C25H30N2O2/c1-20-8-5-6-9-21(20)16-26-15-7-10-23(26)17-27(22-13-14-22)18-24(28)19-29-25-11-3-2-4-12-25/h2-12,15,22,24,28H,13-14,16-19H2,1H3/p+1/t24-/m1/s1