2-(azepan-1-ium-1-yl)-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C[NH+]3CCCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C[NH+]3CCCCCC3)C

InChI

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