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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-pyridin-4-ylethyl)azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-[2-(4-pyridyl)ethyl]ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-pyridin-4-ylethyl)ammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-pyridin-4-ylethyl)azanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-[2-(4-pyridyl)ethyl]ammonium Formula: C25H39N3O3+2 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O3/c1-30-25-17-22(18-27-14-11-21-9-12-26-13-10-21)7-8-24(25)31-20-23(29)19-28-15-5-3-2-4-6-16-28/h7-10,12-13,17,23,27,29H,2-6,11,14-16,18-20H2,1H3/p+2/t23-/m1/s1