cyclohexyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanylpropyl]azanium

Systemtic Name: cyclohexyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanylpropyl]azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxypropyl]-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclohexyl-[(2R)-2-hydroxypropyl]-[(1-m-anisylpyrrol-2-yl)methyl]ammonium Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+](CC1=CC=CN1CC2=CC(=CC=C2)OC)C3CCCCC3)O

Isomeric SMILES

C[C@H](C[NH+](CC1=CC=CN1CC2=CC(=CC=C2)OC)C3CCCCC3)O

InChI

InChI=1S/C22H32N2O2/c1-18(25)15-24(20-9-4-3-5-10-20)17-21-11-7-13-23(21)16-19-8-6-12-22(14-19)26-2/h6-8,11-14,18,20,25H,3-5,9-10,15-17H2,1-2H3/p+1/t18-/m1/s1