1-(2-methylpyridin-1-ium-4-yl)-4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(2-methylpyridin-1-ium-4-yl)-4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium Openeye Name: 1-(2-methylpyridin-1-ium-4-yl)-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium CAS Name: 1-(2-methyl-4-pyridin-1-iumyl)-4-[[(2S)-2-oxolanyl]methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(2-methylpyridin-1-ium-4-yl)-4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium Traditional Name: 1-(2-methylpyridin-1-ium-4-yl)-4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium Formula: C16H27N3O+2 MolecularWeight: 277.40508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=CC(=C1)N2CCC[NH+](CC2)CC3CCCO3

Isomeric SMILES

CC1=[NH+]C=CC(=C1)N2CCC[NH+](CC2)C[C@@H]3CCCO3

InChI

InChI=1S/C16H25N3O/c1-14-12-15(5-6-17-14)19-8-3-7-18(9-10-19)13-16-4-2-11-20-16/h5-6,12,16H,2-4,7-11,13H2,1H3/p+2/t16-/m0/s1