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

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-2-oxolanyl]methyl]-2-pyrrolyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[3-cyano-4,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-2-yl]acetamide Formula: C20H31N4O2+ MolecularWeight: 359.48574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCC2)CC3CCCO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)C[NH+]2CCCCCC2)C[C@H]3CCCO3)C

InChI

InChI=1S/C20H30N4O2/c1-15-16(2)24(13-17-8-7-11-26-17)20(18(15)12-21)22-19(25)14-23-9-5-3-4-6-10-23/h17H,3-11,13-14H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1