N,N-diethyl-2-[4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N,N-diethyl-2-[4-[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N,N-diethyl-2-[4-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N,N-diethyl-2-[4-[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N,N-diethyl-2-[4-[3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C27H34N5O3+ MolecularWeight: 476.59056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N5O3/c1-4-30(5-2)25(33)20-29-15-17-31(18-16-29)27(34)24-19-32(22-9-7-6-8-10-22)28-26(24)21-11-13-23(35-3)14-12-21/h6-14,19H,4-5,15-18,20H2,1-3H3/p+1