cyclohexyl-[(2S)-3-methoxy-2-oxidanyl-propyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium

Systemtic Name: cyclohexyl-[(2S)-3-methoxy-2-oxidanyl-propyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-methoxy-propyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-methoxypropyl]-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-methoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-methoxy-propyl]-[(1-m-anisylpyrrol-2-yl)methyl]ammonium Formula: C23H35N2O3+ MolecularWeight: 387.5356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O3/c1-27-18-22(26)17-25(20-9-4-3-5-10-20)16-21-11-7-13-24(21)15-19-8-6-12-23(14-19)28-2/h6-8,11-14,20,22,26H,3-5,9-10,15-18H2,1-2H3/p+1/t22-/m0/s1