ethyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: ethyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: ethyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: ethyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: ethyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: ethyl-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C20H29N5O2S+2 MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H27N5O2S/c1-2-23(15-19(26)22-14-17-6-5-13-28-17)16-20(27)25-11-9-24(10-12-25)18-7-3-4-8-21-18/h3-8,13H,2,9-12,14-16H2,1H3,(H,22,26)/p+2