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

Systemtic Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-methyl-(2-piperidin-1-ylethyl)azanium Openeye Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-methyl-[2-(1-piperidyl)ethyl]ammonium CAS Name: [3-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-methyl-[2-(1-piperidinyl)ethyl]ammonium IUPAC Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-methyl-(2-piperidin-1-ylethyl)azanium Traditional Name: [3-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-methyl-(2-piperidinoethyl)ammonium Formula: C26H47N3O3+2 MolecularWeight: 449.66968

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1CCCCC1)CC2=CC(=C(C=C2)OC)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

C[NH+](CCN1CCCCC1)CC2=CC(=C(C=C2)OC)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C26H45N3O3/c1-27(17-18-28-13-9-6-10-14-28)20-23-11-12-25(31-2)26(19-23)32-22-24(30)21-29-15-7-4-3-5-8-16-29/h11-12,19,24,30H,3-10,13-18,20-22H2,1-2H3/p+2/t24-/m1/s1