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

Systemtic Name: [2-[(2S)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [2-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl-(3-pyridylmethyl)ammonium CAS Name: [2-[(2S)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [2-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [2-[(2S)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]-(3-pyridylmethyl)ammonium Formula: C24H37N3O3+2 MolecularWeight: 415.56888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CC2=CN=CC=C2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CC2=CN=CC=C2)OC[C@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C24H35N3O3/c1-29-23-10-9-21(17-26-16-20-8-7-11-25-15-20)24(14-23)30-19-22(28)18-27-12-5-3-2-4-6-13-27/h7-11,14-15,22,26,28H,2-6,12-13,16-19H2,1H3/p+2/t22-/m0/s1