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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl]-ethyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-(carbethoxyamino)-2-keto-ethyl]-ethyl-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C18H29N5O4+2 MolecularWeight: 379.45396

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NC(=O)OCC)CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC[NH+](CC(=O)NC(=O)OCC)CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C18H27N5O4/c1-3-21(13-16(24)20-18(26)27-4-2)14-17(25)23-11-9-22(10-12-23)15-7-5-6-8-19-15/h5-8H,3-4,9-14H2,1-2H3,(H,20,24,26)/p+2