1-(oxan-2-ylmethyl)-1-(phenylmethyl)azepan-1-ium

Systemtic Name: 1-(oxan-2-ylmethyl)-1-(phenylmethyl)azepan-1-ium Openeye Name: 1-benzyl-1-(tetrahydropyran-2-ylmethyl)azepan-1-ium CAS Name: 1-(2-oxanylmethyl)-1-(phenylmethyl)azepan-1-ium IUPAC Name: 1-benzyl-1-(oxan-2-ylmethyl)azepan-1-ium Traditional Name: 1-benzyl-1-(tetrahydropyran-2-ylmethyl)azepan-1-ium Formula: C19H30NO+ MolecularWeight: 288.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](CC1)(CC2CCCCO2)CC3=CC=CC=C3

Isomeric SMILES

C1CCC[N+](CC1)(CC2CCCCO2)CC3=CC=CC=C3

InChI

InChI=1S/C19H30NO/c1-2-8-14-20(13-7-1,16-18-10-4-3-5-11-18)17-19-12-6-9-15-21-19/h3-5,10-11,19H,1-2,6-9,12-17H2/q+1