furan-2-ylmethyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: furan-2-ylmethyl-methyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: 2-furylmethyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: 2-furanylmethyl-methyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: furan-2-ylmethyl-methyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: 2-furfuryl-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-ammonium Formula: C17H24N4O2+2 MolecularWeight: 316.39806

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[NH+](CC1=CC=CO1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H22N4O2/c1-19(13-15-5-4-12-23-15)14-17(22)21-10-8-20(9-11-21)16-6-2-3-7-18-16/h2-7,12H,8-11,13-14H2,1H3/p+2