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

Systemtic Name: 2-[5-(2-methylphenyl)-1,2,3,4-tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[5-(o-tolyl)tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[5-(2-methylphenyl)-2-tetrazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-(2-methylphenyl)tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[5-(o-tolyl)tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C19H22N7O+ MolecularWeight: 364.42428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(N=N2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(N=N2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N7O/c1-15-6-2-3-7-16(15)19-21-23-26(22-19)14-18(27)25-12-10-24(11-13-25)17-8-4-5-9-20-17/h2-9H,10-14H2,1H3/p+1