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

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-piperidin-1-ium-4-amine Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-piperidin-1-ium-4-amine CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-4-piperidin-1-iumamine IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylpiperidin-1-ium-4-amine Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-(1-propylpiperidin-1-ium-4-yl)amine Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-2-9-19-10-7-14(8-11-19)18-12-15-13-20-16-5-3-4-6-17(16)21-15/h3-6,14-15,18H,2,7-13H2,1H3/p+1/t15-/m0/s1