[3-(4-ethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(4-ethylphenyl)-1-(phenylmethyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(4-ethylphenyl)-1-(phenylmethyl)-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-benzyl-3-(4-ethylphenyl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)CC)CC4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)CC)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O/c1-3-14-28-15-17-29(18-16-28)26(31)24-20-30(19-22-8-6-5-7-9-22)27-25(24)23-12-10-21(4-2)11-13-23/h5-13,20H,3-4,14-19H2,1-2H3/p+1