diethyl-[(2S)-3-[2-methoxy-5-[[(5-methylthiophen-2-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-5-[[(5-methylthiophen-2-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[(5-methyl-2-thienyl)methylammonio]methyl]phenoxy]propyl]ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[(5-methyl-2-thiophenyl)methylammonio]methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[(5-methylthiophen-2-yl)methylazaniumyl]methyl]phenoxy]propyl]azanium Traditional Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-5-[[(5-methyl-2-thienyl)methylammonio]methyl]phenoxy]propyl]ammonium Formula: C21H34N2O3S+2 MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(S2)C)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH2+]CC2=CC=C(S2)C)OC)O

InChI

InChI=1S/C21H32N2O3S/c1-5-23(6-2)14-18(24)15-26-21-11-17(8-10-20(21)25-4)12-22-13-19-9-7-16(3)27-19/h7-11,18,22,24H,5-6,12-15H2,1-4H3/p+2/t18-/m0/s1