(E)-1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(2-adamantyl)-1-piperazin-4-iumyl]-3-(1-ethyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-adamantyl)piperazin-4-ium-1-yl]-3-(1-ethylpyrazol-4-yl)prop-2-en-1-one Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C=CC(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCN1C=C(C=N1)/C=C/C(=O)N2CC[NH+](CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H32N4O/c1-2-26-15-16(14-23-26)3-4-21(27)24-5-7-25(8-6-24)22-19-10-17-9-18(12-19)13-20(22)11-17/h3-4,14-15,17-20,22H,2,5-13H2,1H3/p+1/b4-3+