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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(oxan-4-ylmethyl)azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(tetrahydropyran-4-ylmethyl)ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(4-oxanylmethyl)ammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(oxan-4-ylmethyl)azanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(tetrahydropyran-4-ylmethyl)ammonium Formula: C24H42N2O4+2 MolecularWeight: 422.60128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC2CCOCC2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CC2CCOCC2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C24H40N2O4/c1-28-24-15-21(17-25-16-20-9-13-29-14-10-20)7-8-23(24)30-19-22(27)18-26-11-5-3-2-4-6-12-26/h7-8,15,20,22,25,27H,2-6,9-14,16-19H2,1H3/p+2/t22-/m1/s1