[3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(pyridin-2-ylmethyl)azanium

Systemtic Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-methyl-(2-pyridylmethyl)ammonium CAS Name: [3-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-methyl-(2-pyridylmethyl)ammonium Formula: C23H35N3O2+2 MolecularWeight: 385.5429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)OCC(C[NH+]2CCCCCC2)O)CC3=CC=CC=N3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)OC[C@@H](C[NH+]2CCCCCC2)O)CC3=CC=CC=N3

InChI

InChI=1S/C23H33N3O2/c1-25(17-21-10-4-5-12-24-21)16-20-9-8-11-23(15-20)28-19-22(27)18-26-13-6-2-3-7-14-26/h4-5,8-12,15,22,27H,2-3,6-7,13-14,16-19H2,1H3/p+2/t22-/m1/s1