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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C=C2)OCC(C[NH+]3CCCCCCC3)O)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C=C2)OC[C@@H](C[NH+]3CCCCCCC3)O)OC

InChI

InChI=1S/C26H39N3O3/c1-28(17-13-23-10-6-7-14-27-23)19-22-11-12-25(26(18-22)31-2)32-21-24(30)20-29-15-8-4-3-5-9-16-29/h6-7,10-12,14,18,24,30H,3-5,8-9,13,15-17,19-21H2,1-2H3/p+2/t24-/m1/s1