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

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[(pyridin-4-ylmethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(4-pyridylmethylammonio)methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(pyridin-4-ylmethylammonio)methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(pyridin-4-ylmethylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(4-pyridylmethylammonio)methyl]phenoxy]propyl]ammonium Formula: C21H33N3O3+2 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=C(C=C1)C[NH2+]CC2=CC=NC=C2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=C(C=C1)C[NH2+]CC2=CC=NC=C2)OC)O

InChI

InChI=1S/C21H31N3O3/c1-4-24(5-2)15-19(25)16-27-20-7-6-18(12-21(20)26-3)14-23-13-17-8-10-22-11-9-17/h6-12,19,23,25H,4-5,13-16H2,1-3H3/p+2/t19-/m0/s1