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

Systemtic Name: N-tert-butyl-2-[4-(1,3-diphenylpyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(1,3-diphenylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O2/c1-26(2,3)27-23(32)19-29-14-16-30(17-15-29)25(33)22-18-31(21-12-8-5-9-13-21)28-24(22)20-10-6-4-7-11-20/h4-13,18H,14-17,19H2,1-3H3,(H,27,32)/p+1