[5-ethyl-1-(phenylmethyl)-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-ethyl-1-(phenylmethyl)-3-propyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (1-benzyl-5-ethyl-3-propyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-ethyl-1-(phenylmethyl)-3-propyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (1-benzyl-5-ethyl-3-propylpyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-5-ethyl-3-propyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C22H33N4O+ MolecularWeight: 369.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC)CC)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=NN(C(=C1C(=O)N2CC[NH+](CC2)CC)CC)CC3=CC=CC=C3

InChI

InChI=1S/C22H32N4O/c1-4-10-19-21(22(27)25-15-13-24(6-3)14-16-25)20(5-2)26(23-19)17-18-11-8-7-9-12-18/h7-9,11-12H,4-6,10,13-17H2,1-3H3/p+1