1-[(2R)-3-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(2R)-3-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2R)-3-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-hydroxy-propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2R)-3-[4-(1-azocan-1-iumylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2R)-3-[4-(azocan-1-ium-1-ylmethyl)-2-methoxyphenoxy]-2-hydroxypropyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2R)-3-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-2-hydroxy-propyl]piperidin-1-ium-4-ol Formula: C23H40N2O4+2 MolecularWeight: 408.5747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCCCCC2)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCCCCCC2)OC[C@@H](C[NH+]3CCC(CC3)O)O

InChI

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