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

Systemtic Name: cyclohexylmethyl-[(2S)-3-methoxy-2-oxidanyl-propyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: cyclohexylmethyl-[(2S)-2-hydroxy-3-methoxy-propyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexylmethyl-[(2S)-2-hydroxy-3-methoxypropyl]-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexylmethyl-[(2S)-2-hydroxy-3-methoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclohexylmethyl-[(2S)-2-hydroxy-3-methoxy-propyl]-[(1-m-anisylpyrrol-2-yl)methyl]ammonium Formula: C24H37N2O3+ MolecularWeight: 401.56218

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C[NH+](CC1CCCCC1)CC2=CC=CN2CC3=CC(=CC=C3)OC)O

Isomeric SMILES

COC[C@H](C[NH+](CC1CCCCC1)CC2=CC=CN2CC3=CC(=CC=C3)OC)O

InChI

InChI=1S/C24H36N2O3/c1-28-19-23(27)18-25(15-20-8-4-3-5-9-20)17-22-11-7-13-26(22)16-21-10-6-12-24(14-21)29-2/h6-7,10-14,20,23,27H,3-5,8-9,15-19H2,1-2H3/p+1/t23-/m0/s1