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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH2+]CCCN2C=CN=C2)OC)O

InChI

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