cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: cyclohexylmethyl-[(2S)-2-hydroxy-2-phenyl-ethyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexylmethyl-[(2S)-2-hydroxy-2-phenylethyl]-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexylmethyl-[(2S)-2-hydroxy-2-phenylethyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclohexylmethyl-[(2S)-2-hydroxy-2-phenyl-ethyl]-[(1-m-anisylpyrrol-2-yl)methyl]ammonium Formula: C28H37N2O2+ MolecularWeight: 433.60558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=CC=C2C[NH+](CC3CCCCC3)CC(C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=CC=C2C[NH+](CC3CCCCC3)C[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C28H36N2O2/c1-32-27-16-8-12-24(18-27)20-30-17-9-15-26(30)21-29(19-23-10-4-2-5-11-23)22-28(31)25-13-6-3-7-14-25/h3,6-9,12-18,23,28,31H,2,4-5,10-11,19-22H2,1H3/p+1/t28-/m1/s1