[(4R)-4-[(dimethylazaniumyl)methyl]-2,2-dimethyl-oxan-4-yl]methyl-(phenylmethyl)-propyl-azanium

Systemtic Name: [(4R)-4-[(dimethylazaniumyl)methyl]-2,2-dimethyl-oxan-4-yl]methyl-(phenylmethyl)-propyl-azanium Openeye Name: benzyl-[[(4R)-4-[(dimethylammonio)methyl]-2,2-dimethyl-tetrahydropyran-4-yl]methyl]-propyl-ammonium CAS Name: [(4R)-4-[(dimethylammonio)methyl]-2,2-dimethyl-4-oxanyl]methyl-(phenylmethyl)-propylammonium IUPAC Name: benzyl-[[(4R)-4-[(dimethylazaniumyl)methyl]-2,2-dimethyloxan-4-yl]methyl]-propylazanium Traditional Name: benzyl-[[(4R)-4-[(dimethylammonio)methyl]-2,2-dimethyl-tetrahydropyran-4-yl]methyl]-propyl-ammonium Formula: C21H38N2O+2 MolecularWeight: 334.53922

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=CC=CC=C1)CC2(CCOC(C2)(C)C)C[NH+](C)C

Isomeric SMILES

CCC[NH+](CC1=CC=CC=C1)C[C@@]2(CCOC(C2)(C)C)C[NH+](C)C

InChI

InChI=1S/C21H36N2O/c1-6-13-23(15-19-10-8-7-9-11-19)18-21(17-22(4)5)12-14-24-20(2,3)16-21/h7-11H,6,12-18H2,1-5H3/p+2/t21-/m1/s1