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

Systemtic Name: 2-[2-[(diphenylmethyl)carbamoyl]-1-hexyl-pyrrol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[2-(benzhydrylcarbamoyl)-1-hexyl-pyrrol-1-ium-1-yl]acetic acid CAS Name: 2-[2-[[(diphenylmethyl)amino]-oxomethyl]-1-hexyl-1-pyrrol-1-iumyl]acetic acid IUPAC Name: 2-[2-(benzhydrylcarbamoyl)-1-hexylpyrrol-1-ium-1-yl]acetic acid Traditional Name: 2-[2-(benzhydrylcarbamoyl)-1-hexyl-pyrrol-1-ium-1-yl]acetic acid Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(C=CC=C1C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

CCCCCC[N+]1(C=CC=C1C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C26H30N2O3/c1-2-3-4-11-18-28(20-24(29)30)19-12-17-23(28)26(31)27-25(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,12-17,19,25H,2-4,11,18,20H2,1H3,(H-,27,29,30,31)/p+1