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

Systemtic Name: propan-2-yl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: isopropyl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-3-pyridyl]methyl]ammonium CAS Name: propan-2-yl-[[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-3-pyridinyl]methyl]ammonium IUPAC Name: propan-2-yl-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Traditional Name: isopropyl-[[2-(4-pyridin-1-ium-2-ylpiperazino)-3-pyridyl]methyl]ammonium Formula: C18H27N5+2 MolecularWeight: 313.44048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH2+]CC1=C(N=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)[NH2+]CC1=C(N=CC=C1)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H25N5/c1-15(2)21-14-16-6-5-9-20-18(16)23-12-10-22(11-13-23)17-7-3-4-8-19-17/h3-9,15,21H,10-14H2,1-2H3/p+2