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

Systemtic Name: 2-[6-[4-(phenylmethyl)piperidin-1-yl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]ethanoate Openeye Name: 2-[6-(4-benzyl-1-piperidyl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate CAS Name: 2-[6-[4-(phenylmethyl)-1-piperidinyl]-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate IUPAC Name: 2-[6-(4-benzylpiperidin-1-yl)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Traditional Name: 2-[6-(4-benzylpiperidino)-1H-imidazo[1,2-a]pyridin-4-ium-2-yl]acetate Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=C[N+]4=C(C=C3)NC(=C4)CC(=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=C[N+]4=C(C=C3)NC(=C4)CC(=O)[O-]

InChI

InChI=1S/C21H23N3O2/c25-21(26)13-18-14-24-15-19(6-7-20(24)22-18)23-10-8-17(9-11-23)12-16-4-2-1-3-5-16/h1-7,14-15,17H,8-13H2,(H,25,26)