N-[(4-butoxyphenyl)methyl]-4-chloranyl-3-ethyl-1-methyl-pyrazol-1-ium-1-carboxamide

Systemtic Name: N-[(4-butoxyphenyl)methyl]-4-chloranyl-3-ethyl-1-methyl-pyrazol-1-ium-1-carboxamide Openeye Name: N-[(4-butoxyphenyl)methyl]-4-chloro-3-ethyl-1-methyl-pyrazol-1-ium-1-carboxamide CAS Name: N-[(4-butoxyphenyl)methyl]-4-chloro-3-ethyl-1-methyl-1-pyrazol-1-iumcarboxamide IUPAC Name: N-[(4-butoxyphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazol-1-ium-1-carboxamide Traditional Name: N-(4-butoxybenzyl)-4-chloro-3-ethyl-1-methyl-pyrazol-1-ium-1-carboxamide Formula: C18H25ClN3O2+ MolecularWeight: 350.863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CNC(=O)[N+]2(C=C(C(=N2)CC)Cl)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CNC(=O)[N+]2(C=C(C(=N2)CC)Cl)C

InChI

InChI=1S/C18H24ClN3O2/c1-4-6-11-24-15-9-7-14(8-10-15)12-20-18(23)22(3)13-16(19)17(5-2)21-22/h7-10,13H,4-6,11-12H2,1-3H3/p+1