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

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[(prop-2-enylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-[4-[(allylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(prop-2-enylammonio)methyl]phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[2-methoxy-4-[(prop-2-enylazaniumyl)methyl]phenoxy]propyl]azanium Traditional Name: [(2S)-3-[4-[(allylammonio)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium Formula: C18H32N2O3+2 MolecularWeight: 324.45828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O3/c1-5-10-19-12-15-8-9-17(18(11-15)22-4)23-14-16(21)13-20(6-2)7-3/h5,8-9,11,16,19,21H,1,6-7,10,12-14H2,2-4H3/p+2/t16-/m0/s1