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

Systemtic Name: 1-[(2R)-3-[2-(azocan-1-ium-1-ylmethyl)-4-methoxy-phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-ol Openeye Name: 1-[(2R)-3-[2-(azocan-1-ium-1-ylmethyl)-4-methoxy-phenoxy]-2-hydroxy-propyl]piperidin-1-ium-4-ol CAS Name: 1-[(2R)-3-[2-(1-azocan-1-iumylmethyl)-4-methoxyphenoxy]-2-hydroxypropyl]-4-piperidin-1-iumol IUPAC Name: 1-[(2R)-3-[2-(azocan-1-ium-1-ylmethyl)-4-methoxyphenoxy]-2-hydroxypropyl]piperidin-1-ium-4-ol Traditional Name: 1-[(2R)-3-[2-(azocan-1-ium-1-ylmethyl)-4-methoxy-phenoxy]-2-hydroxy-propyl]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)OCC(C[NH+]2CCC(CC2)O)O)C[NH+]3CCCCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O4/c1-28-22-7-8-23(19(15-22)16-24-11-5-3-2-4-6-12-24)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