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

Systemtic Name: 1-[[2-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-4-methoxy-phenyl]methyl]piperidin-1-ium-4-ol Openeye Name: 1-[[2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-phenyl]methyl]piperidin-1-ium-4-ol CAS Name: 1-[[2-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]-4-piperidin-1-iumol IUPAC Name: 1-[[2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-4-methoxyphenyl]methyl]piperidin-1-ium-4-ol Traditional Name: 1-[2-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-4-methoxy-benzyl]piperidin-1-ium-4-ol Formula: C23H40N2O4+2 MolecularWeight: 408.5747

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)O)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)O)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C23H38N2O4/c1-28-22-8-7-19(16-25-13-9-20(26)10-14-25)23(15-22)29-18-21(27)17-24-11-5-3-2-4-6-12-24/h7-8,15,20-21,26-27H,2-6,9-14,16-18H2,1H3/p+2/t21-/m1/s1