N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H23N3O4/c1-13(21)20-8-6-19(7-9-20)11-17(22)18-10-14-12-23-15-4-2-3-5-16(15)24-14/h2-5,14H,6-12H2,1H3,(H,18,22)/p+1/t14-/m0/s1