[3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-ethyl-(2-methylprop-2-enyl)azanium

Systemtic Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-oxidanyl-propoxy]phenyl]methyl-ethyl-(2-methylprop-2-enyl)azanium Openeye Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]methyl-ethyl-(2-methylallyl)ammonium CAS Name: [3-[(2R)-3-(1-azepan-1-iumyl)-2-hydroxypropoxy]phenyl]methyl-ethyl-(2-methylprop-2-enyl)ammonium IUPAC Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxypropoxy]phenyl]methyl-ethyl-(2-methylprop-2-enyl)azanium Traditional Name: [3-[(2R)-3-(azepan-1-ium-1-yl)-2-hydroxy-propoxy]benzyl]-ethyl-(2-methylallyl)ammonium Formula: C22H38N2O2+2 MolecularWeight: 362.54932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O2/c1-4-23(15-19(2)3)16-20-10-9-11-22(14-20)26-18-21(25)17-24-12-7-5-6-8-13-24/h9-11,14,21,25H,2,4-8,12-13,15-18H2,1,3H3/p+2/t21-/m1/s1