2-[1-[7-(diethylamino)heptyl]-4-(3-methylphenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanamide

Systemtic Name: 2-[1-[7-(diethylamino)heptyl]-4-(3-methylphenyl)-5-phenyl-pyrazol-1-ium-1-yl]ethanamide Openeye Name: 2-[1-[7-(diethylamino)heptyl]-4-(m-tolyl)-5-phenyl-pyrazol-1-ium-1-yl]acetamide CAS Name: 2-[1-[7-(diethylamino)heptyl]-4-(3-methylphenyl)-5-phenyl-1-pyrazol-1-iumyl]acetamide IUPAC Name: 2-[1-[7-(diethylamino)heptyl]-4-(3-methylphenyl)-5-phenylpyrazol-1-ium-1-yl]acetamide Traditional Name: 2-[1-[7-(diethylamino)heptyl]-4-(m-tolyl)-5-phenyl-pyrazol-1-ium-1-yl]acetamide Formula: C29H41N4O+ MolecularWeight: 461.66204

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCCCC[N+]1(C(=C(C=N1)C2=CC(=CC=C2)C)C3=CC=CC=C3)CC(=O)N

Isomeric SMILES

CCN(CC)CCCCCCC[N+]1(C(=C(C=N1)C2=CC(=CC=C2)C)C3=CC=CC=C3)CC(=O)N

InChI

InChI=1S/C29H40N4O/c1-4-32(5-2)19-12-7-6-8-13-20-33(23-28(30)34)29(25-16-10-9-11-17-25)27(22-31-33)26-18-14-15-24(3)21-26/h9-11,14-18,21-22H,4-8,12-13,19-20,23H2,1-3H3,(H-,30,34)/p+1