(4-ethylpiperazin-4-ium-1-yl)-[1-(phenylmethyl)-5-propan-2-yl-pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(phenylmethyl)-5-propan-2-yl-pyrazol-4-yl]methanone Openeye Name: (1-benzyl-5-isopropyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(phenylmethyl)-5-propan-2-yl-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-5-propan-2-ylpyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-5-isopropyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C20H28N4O/c1-4-22-10-12-23(13-11-22)20(25)18-14-21-24(19(18)16(2)3)15-17-8-6-5-7-9-17/h5-9,14,16H,4,10-13,15H2,1-3H3/p+1