diethyl-[(2S)-3-[2-methoxy-5-[(3-pyrazol-1-ylpropylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-5-[(3-pyrazol-1-ylpropylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(3-pyrazol-1-ylpropylammonio)methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[3-(1-pyrazolyl)propylammonio]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(3-pyrazol-1-ylpropylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[(3-pyrazol-1-ylpropylammonio)methyl]phenoxy]propyl]ammonium Formula: C21H36N4O3+2 MolecularWeight: 392.53554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CC=N2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CC=N2)OC)O

InChI

InChI=1S/C21H34N4O3/c1-4-24(5-2)16-19(26)17-28-21-14-18(8-9-20(21)27-3)15-22-10-6-12-25-13-7-11-23-25/h7-9,11,13-14,19,22,26H,4-6,10,12,15-17H2,1-3H3/p+2/t19-/m0/s1