3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-(2-imidazo[1,2-a]pyridinylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C22H21N4O3+ MolecularWeight: 389.42714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=N2)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN3C=CC=CC3=N2)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H20N4O3/c27-21(18-13-16-5-1-2-6-19(16)29-22(18)28)25-11-9-24(10-12-25)14-17-15-26-8-4-3-7-20(26)23-17/h1-8,13,15H,9-12,14H2/p+1