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

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-pentyl-ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-pentyl-acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-pentylacetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-pentylacetamide Traditional Name: N-amyl-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetamide Formula: C18H29ClN3O+ MolecularWeight: 338.89536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28ClN3O/c1-3-4-5-8-20-18(23)14-21-9-11-22(12-10-21)17-13-16(19)7-6-15(17)2/h6-7,13H,3-5,8-12,14H2,1-2H3,(H,20,23)/p+1