2-[3-[(diphenylmethyl)carbamoyl]-1-hexyl-pyrazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(diphenylmethyl)carbamoyl]-1-hexyl-pyrazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[3-(benzhydrylcarbamoyl)-1-hexyl-pyrazol-1-ium-1-yl]acetic acid CAS Name: 2-[3-[[(diphenylmethyl)amino]-oxomethyl]-1-hexyl-1-pyrazol-1-iumyl]acetic acid IUPAC Name: 2-[3-(benzhydrylcarbamoyl)-1-hexylpyrazol-1-ium-1-yl]acetic acid Traditional Name: 2-[3-(benzhydrylcarbamoyl)-1-hexyl-pyrazol-1-ium-1-yl]acetic acid Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C=CC(=N1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CCCCCC[N+]1(C=CC(=N1)C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C25H29N3O3/c1-2-3-4-11-17-28(19-23(29)30)18-16-22(27-28)25(31)26-24(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-10,12-16,18,24H,2-4,11,17,19H2,1H3,(H-,26,29,30,31)/p+1