(4R)-1-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-azepan-1-ium

Systemtic Name: (4R)-1-[[(2S)-oxolan-2-yl]methyl]-4-phenyl-azepan-1-ium Openeye Name: (4R)-4-phenyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]azepan-1-ium CAS Name: (4R)-1-[[(2S)-2-oxolanyl]methyl]-4-phenylazepan-1-ium IUPAC Name: (4R)-1-[[(2S)-oxolan-2-yl]methyl]-4-phenylazepan-1-ium Traditional Name: (4R)-4-phenyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]azepan-1-ium Formula: C17H26NO+ MolecularWeight: 260.39444

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC[NH+](C1)CC2CCCO2)C3=CC=CC=C3

Isomeric SMILES

C1C[C@H](CC[NH+](C1)C[C@@H]2CCCO2)C3=CC=CC=C3

InChI

InChI=1S/C17H25NO/c1-2-6-15(7-3-1)16-8-4-11-18(12-10-16)14-17-9-5-13-19-17/h1-3,6-7,16-17H,4-5,8-14H2/p+1/t16-,17+/m1/s1