[2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: [2-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C23H38N4O3+2 MolecularWeight: 418.57282

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=C(C=C1)OC)OCC(C[NH+]2CCCCCCC2)O)CC3=CC=NN3

Isomeric SMILES

C[NH+](CC1=C(C=C(C=C1)OC)OC[C@@H](C[NH+]2CCCCCCC2)O)CC3=CC=NN3

InChI

InChI=1S/C23H36N4O3/c1-26(16-20-10-11-24-25-20)15-19-8-9-22(29-2)14-23(19)30-18-21(28)17-27-12-6-4-3-5-7-13-27/h8-11,14,21,28H,3-7,12-13,15-18H2,1-2H3,(H,24,25)/p+2/t21-/m1/s1