N-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-ethanoyl-N-methyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-ethanoyl-N-methyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-N-methyl-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-[2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-N-methyl-1H-pyrrole-2-carboxamide Formula: C20H32N5O4+ MolecularWeight: 406.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)N(C)CC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)N(C)CC(=O)N2CC[NH+](CC2)CC(=O)NC(C)(C)C

InChI

InChI=1S/C20H31N5O4/c1-14(26)15-10-16(21-11-15)19(29)23(5)13-18(28)25-8-6-24(7-9-25)12-17(27)22-20(2,3)4/h10-11,21H,6-9,12-13H2,1-5H3,(H,22,27)/p+1