2-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[5-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[5-(4-isopropylphenyl)tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[5-(4-propan-2-ylphenyl)-2-tetrazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(5-p-cumenyltetrazol-2-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H26N7O+ MolecularWeight: 392.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H25N7O/c1-16(2)17-6-8-18(9-7-17)21-23-25-28(24-21)15-20(29)27-13-11-26(12-14-27)19-5-3-4-10-22-19/h3-10,16H,11-15H2,1-2H3/p+1