cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]azanium

Systemtic Name: cyclohexylmethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]azanium Openeye Name: [(2R)-3-allyloxy-2-hydroxy-propyl]-(cyclohexylmethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexylmethyl-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexylmethyl-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: [(2R)-3-allyloxy-2-hydroxy-propyl]-(cyclohexylmethyl)-[(1-m-anisylpyrrol-2-yl)methyl]ammonium Formula: C26H39N2O3+ MolecularWeight: 427.59946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O3/c1-3-15-31-21-25(29)20-27(17-22-9-5-4-6-10-22)19-24-12-8-14-28(24)18-23-11-7-13-26(16-23)30-2/h3,7-8,11-14,16,22,25,29H,1,4-6,9-10,15,17-21H2,2H3/p+1/t25-/m1/s1