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

Systemtic Name: cyclobutyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: cyclobutyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-pyridyl]methyl]ammonium CAS Name: cyclobutyl-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: cyclobutyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: cyclobutyl-[[2-(4-pyridin-1-ium-2-ylpiperazino)-3-pyridyl]methyl]ammonium Formula: C19H27N5+2 MolecularWeight: 325.45118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CC(C1)[NH2+]CC2=C(N=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H25N5/c1-2-9-20-18(8-1)23-11-13-24(14-12-23)19-16(5-4-10-21-19)15-22-17-6-3-7-17/h1-2,4-5,8-10,17,22H,3,6-7,11-15H2/p+2