(4-ethylpiperazin-4-ium-1-yl)-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-phenylpyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-benzyl-3-phenyl-pyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O/c1-2-25-13-15-26(16-14-25)23(28)21-18-27(17-19-9-5-3-6-10-19)24-22(21)20-11-7-4-8-12-20/h3-12,18H,2,13-17H2,1H3/p+1