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

Systemtic Name: 2-[4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]piperazin-4-ium-1-yl]carbonylchromen-4-one Openeye Name: 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]chromen-4-one CAS Name: 2-[oxo-[4-[(1-phenyl-5-tetrazolyl)methyl]-1-piperazin-4-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]chromen-4-one Traditional Name: 2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-4-ium-1-carbonyl]chromone 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=CC(=O)C5=CC=CC=C5O4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC=CC=C3)C(=O)C4=CC(=O)C5=CC=CC=C5O4

InChI

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