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

Systemtic Name: cyclopropyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]azanium Openeye Name: [(2R)-3-benzyloxy-2-hydroxy-propyl]-cyclopropyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclopropyl-[(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: [(2R)-3-benzoxy-2-hydroxy-propyl]-cyclopropyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C26H33N2O2+ MolecularWeight: 405.55242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC(COCC3=CC=CC=C3)O)C4CC4

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](C[C@H](COCC3=CC=CC=C3)O)C4CC4

InChI

InChI=1S/C26H32N2O2/c1-21-8-5-6-11-23(21)16-27-15-7-12-25(27)17-28(24-13-14-24)18-26(29)20-30-19-22-9-3-2-4-10-22/h2-12,15,24,26,29H,13-14,16-20H2,1H3/p+1/t26-/m1/s1