dicyclopropylmethyl-[[4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium

Systemtic Name: dicyclopropylmethyl-[[4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: dicyclopropylmethyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: dicyclopropylmethyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: dicyclopropylmethyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: dicyclopropylmethyl-[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-benzyl]ammonium Formula: C24H41N3O3+2 MolecularWeight: 419.60064

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC(COC2=C(C=CC(=C2)C[NH2+]C(C3CC3)C4CC4)OC)O

Isomeric SMILES

CN1CCC[NH+](CC1)C[C@H](COC2=C(C=CC(=C2)C[NH2+]C(C3CC3)C4CC4)OC)O

InChI

InChI=1S/C24H39N3O3/c1-26-10-3-11-27(13-12-26)16-21(28)17-30-23-14-18(4-9-22(23)29-2)15-25-24(19-5-6-19)20-7-8-20/h4,9,14,19-21,24-25,28H,3,5-8,10-13,15-17H2,1-2H3/p+2/t21-/m1/s1