N-(butylcarbamoyl)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H28ClN4O2+ MolecularWeight: 367.89352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCCCNC(=O)NC(=O)C[NH+]1CCN(CC1)C2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C18H27ClN4O2/c1-3-4-7-20-18(25)21-17(24)13-22-8-10-23(11-9-22)16-12-15(19)6-5-14(16)2/h5-6,12H,3-4,7-11,13H2,1-2H3,(H2,20,21,24,25)/p+1