3-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[oxo-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]coumarin Formula: C22H21N6O3+ MolecularWeight: 417.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H20N6O3/c29-21(18-14-16-6-4-5-9-19(16)31-22(18)30)27-12-10-26(11-13-27)15-20-23-24-25-28(20)17-7-2-1-3-8-17/h1-9,14H,10-13,15H2/p+1