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

Systemtic Name: 2-methoxyethyl-[[4-methoxy-3-[(2R)-3-(4-methyl-1,4-diazepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl]-methyl-azanium Openeye Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-phenyl]methyl-(2-methoxyethyl)-methyl-ammonium CAS Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(2-methoxyethyl)-methylammonium IUPAC Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxyphenyl]methyl-(2-methoxyethyl)-methylazanium Traditional Name: [3-[(2R)-2-hydroxy-3-(4-methyl-1,4-diazepan-1-ium-1-yl)propoxy]-4-methoxy-benzyl]-(2-methoxyethyl)-methyl-ammonium Formula: C21H39N3O4+2 MolecularWeight: 397.55206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O4/c1-22-8-5-9-24(11-10-22)16-19(25)17-28-21-14-18(6-7-20(21)27-4)15-23(2)12-13-26-3/h6-7,14,19,25H,5,8-13,15-17H2,1-4H3/p+2/t19-/m1/s1