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

Systemtic Name: 2-[5-(4-ethylphenyl)-1,2,3,4-tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[5-(4-ethylphenyl)tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[5-(4-ethylphenyl)-2-tetrazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[5-(4-ethylphenyl)tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[5-(4-ethylphenyl)tetrazol-2-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H24N7O+ MolecularWeight: 378.45086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N7O/c1-2-16-6-8-17(9-7-16)20-22-24-27(23-20)15-19(28)26-13-11-25(12-14-26)18-5-3-4-10-21-18/h3-10H,2,11-15H2,1H3/p+1