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

Systemtic Name: cyclobutyl-[[4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]azanium Openeye Name: cyclobutyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl]ammonium CAS Name: cyclobutyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]ammonium IUPAC Name: cyclobutyl-[[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl]azanium Traditional Name: cyclobutyl-[3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-benzyl]ammonium Formula: C21H37N3O3+2 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC(COC2=C(C=CC(=C2)C[NH2+]C3CCC3)OC)O

Isomeric SMILES

CN1CCC[NH+](CC1)C[C@H](COC2=C(C=CC(=C2)C[NH2+]C3CCC3)OC)O

InChI

InChI=1S/C21H35N3O3/c1-23-9-4-10-24(12-11-23)15-19(25)16-27-21-13-17(7-8-20(21)26-2)14-22-18-5-3-6-18/h7-8,13,18-19,22,25H,3-6,9-12,14-16H2,1-2H3/p+2/t19-/m1/s1