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

Systemtic Name: ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: ethyl-[2-(isopropylamino)-2-oxo-ethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: ethyl-[2-(isopropylamino)-2-keto-ethyl]-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C18H31N5O2+2 MolecularWeight: 349.47104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O2/c1-4-21(13-17(24)20-15(2)3)14-18(25)23-11-9-22(10-12-23)16-7-5-6-8-19-16/h5-8,15H,4,9-14H2,1-3H3,(H,20,24)/p+2