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

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-propylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-propyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-propylpiperazine-1,4-diium-1-yl)acetamide Formula: C18H29N3O3+2 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-2-7-20-8-10-21(11-9-20)13-18(22)19-12-15-14-23-16-5-3-4-6-17(16)24-15/h3-6,15H,2,7-14H2,1H3,(H,19,22)/p+2/t15-/m0/s1