N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanamide Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]acetamide CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-2-pyrrolyl]acetamide IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]acetamide Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]acetamide Formula: C20H30N5O3+ MolecularWeight: 388.4839

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C)CC3CCCO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCN(CC2)C(=O)C)C[C@H]3CCCO3)C

InChI

InChI=1S/C20H29N5O3/c1-14-15(2)25(12-17-5-4-10-28-17)20(18(14)11-21)22-19(27)13-23-6-8-24(9-7-23)16(3)26/h17H,4-10,12-13H2,1-3H3,(H,22,27)/p+1/t17-/m1/s1