N-tert-butyl-2-[4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-2-pyrrolyl)amino]-2-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethylpyrrol-2-yl)amino]-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[(3-cyano-1-cyclopentyl-4,5-dimethyl-pyrrol-2-yl)amino]-2-keto-ethyl]piperazin-1-ium-1-yl]acetamide Formula: C24H39N6O2+ MolecularWeight: 443.60546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CC[NH+](CC2)CC(=O)NC(C)(C)C)C3CCCC3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CC[NH+](CC2)CC(=O)NC(C)(C)C)C3CCCC3)C

InChI

InChI=1S/C24H38N6O2/c1-17-18(2)30(19-8-6-7-9-19)23(20(17)14-25)26-21(31)15-28-10-12-29(13-11-28)16-22(32)27-24(3,4)5/h19H,6-13,15-16H2,1-5H3,(H,26,31)(H,27,32)/p+1