diethyl-[(2S)-3-[2-methoxy-4-[(3-pyridin-3-yloxypropylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[(3-pyridin-3-yloxypropylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[3-(3-pyridyloxy)propylammonio]methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[3-(3-pyridinyloxy)propylammonio]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(3-pyridin-3-yloxypropylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[3-(3-pyridyloxy)propylammonio]methyl]phenoxy]propyl]ammonium Formula: C23H37N3O4+2 MolecularWeight: 419.55758

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=C(C=C1)C[NH2+]CCCOC2=CN=CC=C2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=C(C=C1)C[NH2+]CCCOC2=CN=CC=C2)OC)O

InChI

InChI=1S/C23H35N3O4/c1-4-26(5-2)17-20(27)18-30-22-10-9-19(14-23(22)28-3)15-24-12-7-13-29-21-8-6-11-25-16-21/h6,8-11,14,16,20,24,27H,4-5,7,12-13,15,17-18H2,1-3H3/p+2/t20-/m0/s1