(1-ethylpyrazol-4-yl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: (1-ethylpyrazol-4-yl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: (1-ethylpyrazol-4-yl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-pyridyl]methyl]ammonium CAS Name: (1-ethyl-4-pyrazolyl)methyl-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: (1-ethylpyrazol-4-yl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: (1-ethylpyrazol-4-yl)methyl-[[2-(4-pyridin-1-ium-2-ylpiperazino)-3-pyridyl]methyl]ammonium Formula: C21H29N7+2 MolecularWeight: 379.50186

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CCN1C=C(C=N1)C[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H27N7/c1-2-28-17-18(15-25-28)14-22-16-19-6-5-9-24-21(19)27-12-10-26(11-13-27)20-7-3-4-8-23-20/h3-9,15,17,22H,2,10-14,16H2,1H3/p+2