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

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-[2-(3-pyridyloxy)ethyl]ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-[2-(3-pyridinyloxy)ethyl]ammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-pyridin-3-yloxyethyl)azanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-[2-(3-pyridyloxy)ethyl]ammonium Formula: C25H39N3O4+2 MolecularWeight: 445.59486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O4/c1-30-25-16-21(17-27-12-15-31-23-8-7-11-26-18-23)9-10-24(25)32-20-22(29)19-28-13-5-3-2-4-6-14-28/h7-11,16,18,22,27,29H,2-6,12-15,17,19-20H2,1H3/p+2/t22-/m1/s1