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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-phenoxyethyl)azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-phenoxyethyl)ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-phenoxyethyl)ammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-phenoxyethyl)azanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-phenoxyethyl)ammonium Formula: C26H40N2O4+2 MolecularWeight: 444.6068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CCOC2=CC=CC=C2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]CCOC2=CC=CC=C2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C26H38N2O4/c1-30-26-18-22(19-27-14-17-31-24-10-6-5-7-11-24)12-13-25(26)32-21-23(29)20-28-15-8-3-2-4-9-16-28/h5-7,10-13,18,23,27,29H,2-4,8-9,14-17,19-21H2,1H3/p+2/t23-/m1/s1