2-[6-[bis(phenylmethyl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate

Systemtic Name: 2-[6-[bis(phenylmethyl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate Openeye Name: 2-[6-(dibenzylamino)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate CAS Name: 2-[6-[bis(phenylmethyl)amino]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate IUPAC Name: 2-[6-(dibenzylamino)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Traditional Name: 2-[6-(dibenzylamino)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C[N+]4=C(C=C3)NC(=C4)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C[N+]4=C(C=C3)NC(=C4)CC(=O)[O-]

InChI

InChI=1S/C23H21N3O2/c27-23(28)13-20-16-26-17-21(11-12-22(26)24-20)25(14-18-7-3-1-4-8-18)15-19-9-5-2-6-10-19/h1-12,16-17H,13-15H2,(H,27,28)