2-(azocan-1-ium-1-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]acetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[5-methyl-2-(p-tolyl)pyrazol-3-yl]acetamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C)NC(=O)C[NH+]3CCCCCCC3

InChI

InChI=1S/C20H28N4O/c1-16-8-10-18(11-9-16)24-19(14-17(2)22-24)21-20(25)15-23-12-6-4-3-5-7-13-23/h8-11,14H,3-7,12-13,15H2,1-2H3,(H,21,25)/p+1