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

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidin-4-yl]propan-1-one Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(E)-3-(2-pyridyl)prop-2-enoyl]-4-piperidyl]propan-1-one CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-3-[1-[(E)-1-oxo-3-(2-pyridinyl)prop-2-enyl]-4-piperidinyl]-1-propanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidin-4-yl]propan-1-one Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-3-[1-[(E)-3-(2-pyridyl)acryloyl]-4-piperidyl]propan-1-one Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)C=CC3=CC=CC=N3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2CCN(CC2)C(=O)/C=C/C3=CC=CC=N3

InChI

InChI=1S/C22H32N4O2/c1-2-24-15-17-26(18-16-24)21(27)8-6-19-10-13-25(14-11-19)22(28)9-7-20-5-3-4-12-23-20/h3-5,7,9,12,19H,2,6,8,10-11,13-18H2,1H3/p+1/b9-7+