4-[(2-ethoxyphenyl)carbonylamino]-1-methyl-3-propyl-pyrazol-1-ium-1-carboxamide

Systemtic Name: 4-[(2-ethoxyphenyl)carbonylamino]-1-methyl-3-propyl-pyrazol-1-ium-1-carboxamide Openeye Name: 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propyl-pyrazol-1-ium-1-carboxamide CAS Name: 4-[[(2-ethoxyphenyl)-oxomethyl]amino]-1-methyl-3-propyl-1-pyrazol-1-iumcarboxamide IUPAC Name: 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propylpyrazol-1-ium-1-carboxamide Traditional Name: 4-[(2-ethoxybenzoyl)amino]-1-methyl-3-propyl-pyrazol-1-ium-1-carboxamide Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=N[N+](C=C1NC(=O)C2=CC=CC=C2OCC)(C)C(=O)N

Isomeric SMILES

CCCC1=N[N+](C=C1NC(=O)C2=CC=CC=C2OCC)(C)C(=O)N

InChI

InChI=1S/C17H22N4O3/c1-4-8-13-14(11-21(3,20-13)17(18)23)19-16(22)12-9-6-7-10-15(12)24-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H2-,18,19,22,23)/p+1