[(2S)-3-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium

Systemtic Name: [(2S)-3-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-oxidanyl-propyl]-diethyl-azanium Openeye Name: [(2S)-3-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium CAS Name: [(2S)-3-[4-(1-azocan-1-iumylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]-diethylammonium IUPAC Name: [(2S)-3-[4-(azocan-1-ium-1-ylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]-diethylazanium Traditional Name: [(2S)-3-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-hydroxy-propyl]-diethyl-ammonium Formula: C22H40N2O3+2 MolecularWeight: 380.5646

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=C(C=C1)C[NH+]2CCCCCCC2)OC)O

Isomeric SMILES

CC[NH+](CC)C[C@@H](COC1=C(C=C(C=C1)C[NH+]2CCCCCCC2)OC)O

InChI

InChI=1S/C22H38N2O3/c1-4-23(5-2)17-20(25)18-27-21-12-11-19(15-22(21)26-3)16-24-13-9-7-6-8-10-14-24/h11-12,15,20,25H,4-10,13-14,16-18H2,1-3H3/p+2/t20-/m0/s1