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

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H23N3O3/c1-18-6-8-19(9-7-18)11-16(20)17-10-13-12-21-14-4-2-3-5-15(14)22-13/h2-5,13H,6-12H2,1H3,(H,17,20)/p+1/t13-/m0/s1