(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[4-(1-tetrazolyl)phenyl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-[4-(tetrazol-1-yl)phenyl]methanone Formula: C17H18N7O+ MolecularWeight: 336.37112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(C=C3)N4C=NN=N4

InChI

InChI=1S/C17H17N7O/c25-17(14-4-6-15(7-5-14)24-13-19-20-21-24)23-11-9-22(10-12-23)16-3-1-2-8-18-16/h1-8,13H,9-12H2/p+1