N-cyclopropyl-2-[4-(1,3-diphenylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(1,3-diphenylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C25H28N5O2+ MolecularWeight: 430.52212

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O2/c31-23(26-20-11-12-20)18-28-13-15-29(16-14-28)25(32)22-17-30(21-9-5-2-6-10-21)27-24(22)19-7-3-1-4-8-19/h1-10,17,20H,11-16,18H2,(H,26,31)/p+1