2-[5-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate

Systemtic Name: 2-[5-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate Openeye Name: 2-[5-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate CAS Name: 2-[5-methyl-3-(1-pyrrolidin-1-iumylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate IUPAC Name: 2-[5-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Traditional Name: 2-[5-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=C2C[NH+]3CCCC3)CC(=O)[O-]

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=C2C[NH+]3CCCC3)CC(=O)[O-]

InChI

InChI=1S/C15H19N3O2/c1-11-5-4-6-14-16-12(9-15(19)20)13(18(11)14)10-17-7-2-3-8-17/h4-6H,2-3,7-10H2,1H3,(H,19,20)/p+1