cyclohexyl-[(2R)-3-[3-[[(2-methoxy-2-methyl-propyl)azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[3-[[(2-methoxy-2-methyl-propyl)azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[[(2-methoxy-2-methyl-propyl)ammonio]methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[[(2-methoxy-2-methylpropyl)ammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[[(2-methoxy-2-methylpropyl)azaniumyl]methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[3-[[(2-methoxy-2-methyl-propyl)ammonio]methyl]phenoxy]propyl]-methyl-ammonium Formula: C22H40N2O3+2 MolecularWeight: 380.5646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH2+]CC1=CC(=CC=C1)OCC(C[NH+](C)C2CCCCC2)O)OC

Isomeric SMILES

CC(C)(C[NH2+]CC1=CC(=CC=C1)OC[C@@H](C[NH+](C)C2CCCCC2)O)OC

InChI

InChI=1S/C22H38N2O3/c1-22(2,26-4)17-23-14-18-9-8-12-21(13-18)27-16-20(25)15-24(3)19-10-6-5-7-11-19/h8-9,12-13,19-20,23,25H,5-7,10-11,14-17H2,1-4H3/p+2/t20-/m1/s1