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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCCCC2)O)C3CCOCC3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC[C@H](C[NH+]2CCCCCCC2)O)C3CCOCC3

InChI

InChI=1S/C24H40N2O4/c1-25(21-10-14-29-15-11-21)17-20-8-9-23(28-2)24(16-20)30-19-22(27)18-26-12-6-4-3-5-7-13-26/h8-9,16,21-22,27H,3-7,10-15,17-19H2,1-2H3/p+2/t22-/m0/s1