[2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(2-methoxyethyl)-methyl-azanium

Systemtic Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(2-methoxyethyl)-methyl-azanium Openeye Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-(2-methoxyethyl)-methyl-ammonium CAS Name: [2-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(2-methoxyethyl)-methylammonium IUPAC Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(2-methoxyethyl)-methylazanium Traditional Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-(2-methoxyethyl)-methyl-ammonium Formula: C22H40N2O4+2 MolecularWeight: 396.564

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC)CC1=C(C=C(C=C1)OC)OCC(C[NH+]2CCCCCCC2)O

Isomeric SMILES

C[NH+](CCOC)CC1=C(C=C(C=C1)OC)OC[C@@H](C[NH+]2CCCCCCC2)O

InChI

InChI=1S/C22H38N2O4/c1-23(13-14-26-2)16-19-9-10-21(27-3)15-22(19)28-18-20(25)17-24-11-7-5-4-6-8-12-24/h9-10,15,20,25H,4-8,11-14,16-18H2,1-3H3/p+2/t20-/m1/s1