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

Systemtic Name: diethyl-[(2S)-3-[2-methoxy-4-[[(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-3-[4-[[(2-allyl-2-hydroxy-pent-4-enyl)ammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium CAS Name: diethyl-[(2S)-2-hydroxy-3-[4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)ammonio]methyl]-2-methoxyphenoxy]propyl]ammonium IUPAC Name: diethyl-[(2S)-2-hydroxy-3-[4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)azaniumyl]methyl]-2-methoxyphenoxy]propyl]azanium Traditional Name: [(2S)-3-[4-[[(2-allyl-2-hydroxy-pent-4-enyl)ammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium Formula: C23H40N2O4+2 MolecularWeight: 408.5747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O4/c1-6-12-23(27,13-7-2)18-24-15-19-10-11-21(22(14-19)28-5)29-17-20(26)16-25(8-3)9-4/h6-7,10-11,14,20,24,26-27H,1-2,8-9,12-13,15-18H2,3-5H3/p+2/t20-/m0/s1