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

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(3-pyridin-3-ylpropyl)azanium Openeye Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-[3-(3-pyridyl)propyl]ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-[3-(3-pyridinyl)propyl]ammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(3-pyridin-3-ylpropyl)azanium Traditional Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-[3-(3-pyridyl)propyl]ammonium Formula: C26H41N3O3+2 MolecularWeight: 443.62204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCCC2=CN=CC=C2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCCC2=CN=CC=C2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C26H39N3O3/c1-31-25-12-11-23(19-28-14-8-10-22-9-7-13-27-18-22)17-26(25)32-21-24(30)20-29-15-5-3-2-4-6-16-29/h7,9,11-13,17-18,24,28,30H,2-6,8,10,14-16,19-21H2,1H3/p+2/t24-/m1/s1