[(2S)-3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium

Systemtic Name: [(2S)-3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium Openeye Name: [(2S)-3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium CAS Name: [(2S)-3-[5-(1-azepan-1-iumylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]-diethylammonium IUPAC Name: [(2S)-3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]-diethylazanium Traditional Name: [(2S)-3-[5-(azepan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium Formula: C21H38N2O3+2 MolecularWeight: 366.53802

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)C[NH+]2CCCCCC2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=CC(=C1)C[NH+]2CCCCCC2)OC)O

InChI

InChI=1S/C21H36N2O3/c1-4-22(5-2)16-19(24)17-26-21-14-18(10-11-20(21)25-3)15-23-12-8-6-7-9-13-23/h10-11,14,19,24H,4-9,12-13,15-17H2,1-3H3/p+2/t19-/m0/s1