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

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-phenethyl-azanium Openeye Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-phenethyl-ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-phenethylammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-phenethylazanium Traditional Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-phenethyl-ammonium Formula: C26H40N2O3+2 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=CC=C2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCC2=CC=CC=C2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C26H38N2O3/c1-30-25-13-12-23(19-27-15-14-22-10-6-5-7-11-22)18-26(25)31-21-24(29)20-28-16-8-3-2-4-9-17-28/h5-7,10-13,18,24,27,29H,2-4,8-9,14-17,19-21H2,1H3/p+2/t24-/m1/s1