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

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[(2-pyrazin-2-ylethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(2-pyrazin-2-ylethylammonio)methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[[2-(2-pyrazinyl)ethylammonio]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(2-pyrazin-2-ylethylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(2-pyrazin-2-ylethylammonio)methyl]phenoxy]propyl]ammonium Formula: C21H34N4O3+2 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=C(C=C1)C[NH2+]CCC2=NC=CN=C2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=C(C=C1)C[NH2+]CCC2=NC=CN=C2)OC)O

InChI

InChI=1S/C21H32N4O3/c1-4-25(5-2)15-19(26)16-28-20-7-6-17(12-21(20)27-3)13-22-9-8-18-14-23-10-11-24-18/h6-7,10-12,14,19,22,26H,4-5,8-9,13,15-16H2,1-3H3/p+2/t19-/m0/s1