(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propionamide Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H24N4O3/c1-15(23-8-10-24(11-9-23)19-4-2-3-7-21-19)20(25)22-16-5-6-17-18(14-16)27-13-12-26-17/h2-7,14-15H,8-13H2,1H3,(H,22,25)/p+1/t15-/m0/s1