N-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-cyano-N-methyl-benzamide

Systemtic Name: N-[2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-cyano-N-methyl-benzamide Openeye Name: N-[2-[4-[2-(tert-butylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-cyano-N-methyl-benzamide CAS Name: N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-2-oxoethyl]-4-cyano-N-methylbenzamide IUPAC Name: N-[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-4-cyano-N-methylbenzamide Traditional Name: N-[2-[4-[2-(tert-butylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-4-cyano-N-methyl-benzamide Formula: C21H30N5O3+ MolecularWeight: 400.4946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3/c1-21(2,3)23-18(27)14-25-9-11-26(12-10-25)19(28)15-24(4)20(29)17-7-5-16(13-22)6-8-17/h5-8H,9-12,14-15H2,1-4H3,(H,23,27)/p+1