3-(1,3-benzoxazol-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(1,3-benzoxazol-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1,3-benzoxazol-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(1,3-benzoxazol-2-yl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzoxazol-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1,3-benzoxazol-2-yl)-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H20N4O2/c24-19(6-5-18-21-16-3-1-2-4-17(16)25-18)23-13-11-22(12-14-23)15-7-9-20-10-8-15/h1-4,7-10H,5-6,11-14H2/p+1