N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-piperidin-1-ium-4-amine

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-piperidin-1-ium-4-amine Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-piperidin-1-ium-4-amine CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-4-piperidin-1-iumamine IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylpiperidin-1-ium-4-amine Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(1-ethylpiperidin-1-ium-4-yl)amine Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC[NH+]1CCC(CC1)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H24N2O2/c1-2-18-9-7-13(8-10-18)17-11-14-12-19-15-5-3-4-6-16(15)20-14/h3-6,13-14,17H,2,7-12H2,1H3/p+1/t14-/m0/s1