[(2S)-3-[4-[[(2-azanyl-2-oxidanylidene-ethyl)azaniumyl]methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium

Systemtic Name: [(2S)-3-[4-[[(2-azanyl-2-oxidanylidene-ethyl)azaniumyl]methyl]-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium Openeye Name: [(2S)-3-[4-[[(2-amino-2-oxo-ethyl)ammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium CAS Name: [(2S)-3-[4-[[(2-amino-2-oxoethyl)ammonio]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-diethylammonium IUPAC Name: [(2S)-3-[4-[[(2-amino-2-oxoethyl)azaniumyl]methyl]-2-methoxyphenoxy]-2-hydroxypropyl]-diethylazanium Traditional Name: [(2S)-3-[4-[[(2-amino-2-keto-ethyl)ammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium Formula: C17H31N3O4+2 MolecularWeight: 341.44574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O4/c1-4-20(5-2)11-14(21)12-24-15-7-6-13(8-16(15)23-3)9-19-10-17(18)22/h6-8,14,19,21H,4-5,9-12H2,1-3H3,(H2,18,22)/p+2/t14-/m0/s1