N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C18H31N5O2+2 MolecularWeight: 349.47104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)C[NH+]1CCN(CC1)C2=CC=CC=[NH+]2

InChI

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