1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-(2-pyridin-3-ylethanoyl)piperidin-4-yl]propan-1-one

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-(2-pyridin-3-ylethanoyl)piperidin-4-yl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[2-(3-pyridyl)acetyl]-4-piperidyl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-[1-[1-oxo-2-(3-pyridinyl)ethyl]-4-piperidinyl]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propan-1-one Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[2-(3-pyridyl)acetyl]-4-piperidyl]propan-1-one Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)CC3=CN=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)CC3=CN=CC=C3

InChI

InChI=1S/C21H32N4O2/c1-2-23-12-14-25(15-13-23)20(26)6-5-18-7-10-24(11-8-18)21(27)16-19-4-3-9-22-17-19/h3-4,9,17-18H,2,5-8,10-16H2,1H3/p+1