N-butyl-2-[4-[2-(1-phenylpyrazol-4-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-(1-phenylpyrazol-4-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(1-phenylpyrazol-4-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[1-oxo-2-(1-phenyl-4-pyrazolyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(1-phenylpyrazol-4-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-(1-phenylpyrazol-4-yl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H30N5O2+ MolecularWeight: 384.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O2/c1-2-3-9-22-20(27)17-24-10-12-25(13-11-24)21(28)14-18-15-23-26(16-18)19-7-5-4-6-8-19/h4-8,15-16H,2-3,9-14,17H2,1H3,(H,22,27)/p+1