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

Systemtic Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(oxan-4-yl)azanium Openeye Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-tetrahydropyran-4-yl-ammonium CAS Name: [2-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(4-oxanyl)ammonium IUPAC Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(oxan-4-yl)azanium Traditional Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-tetrahydropyran-4-yl-ammonium Formula: C23H40N2O4+2 MolecularWeight: 408.5747

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]C2CCOCC2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]C2CCOCC2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C23H38N2O4/c1-27-22-8-7-19(16-24-20-9-13-28-14-10-20)23(15-22)29-18-21(26)17-25-11-5-3-2-4-6-12-25/h7-8,15,20-21,24,26H,2-6,9-14,16-18H2,1H3/p+2/t21-/m1/s1