[(2S)-2-(5-methylfuran-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(5-methylfuran-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2S)-2-(5-methyl-2-furyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2S)-2-(5-methyl-2-furanyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2S)-2-(5-methylfuran-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2S)-2-(5-methyl-2-furyl)-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C16H24N4O+2 MolecularWeight: 288.38796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(O1)[C@H](C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H22N4O/c1-13-5-6-15(21-13)14(12-17)19-8-10-20(11-9-19)16-4-2-3-7-18-16/h2-7,14H,8-12,17H2,1H3/p+2/t14-/m0/s1