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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=C(C=C1)OC)OCC(C[NH+]2CCCCCCC2)O)CC3=CC=CC=N3

Isomeric SMILES

C[NH+](CC1=CC(=C(C=C1)OC)OC[C@H](C[NH+]2CCCCCCC2)O)CC3=CC=CC=N3

InChI

InChI=1S/C25H37N3O3/c1-27(18-22-10-6-7-13-26-22)17-21-11-12-24(30-2)25(16-21)31-20-23(29)19-28-14-8-4-3-5-9-15-28/h6-7,10-13,16,23,29H,3-5,8-9,14-15,17-20H2,1-2H3/p+2/t23-/m0/s1