2-[4-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(1-butyl-5-chloro-3-methylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(1-butyl-5-chloro-3-methyl-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C18H29ClN5O2+ MolecularWeight: 382.90816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)N2CC[NH+](CC2)CC(=O)NC3CC3)Cl

InChI

InChI=1S/C18H28ClN5O2/c1-3-4-7-24-17(19)16(13(2)21-24)18(26)23-10-8-22(9-11-23)12-15(25)20-14-5-6-14/h14H,3-12H2,1-2H3,(H,20,25)/p+1