N-cyclopropyl-2-[4-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2/c26-19(22-18-6-7-18)15-23-8-10-24(11-9-23)20(27)17-12-21-25(14-17)13-16-4-2-1-3-5-16/h1-5,12,14,18H,6-11,13,15H2,(H,22,26)/p+1